120817 <common-name>Andrastin A</common-name> <description>Andrastin A belongs to the steroid esters, a subclass of steroids and steroid derivatives within the organic compounds. This lipid and lipid-like molecule has the formula C28H38O7 and an average molecular weight of 486.61 g/mol.</description> <cas nil="true"/> <pubchem-id>6712564</pubchem-id> <chemical-formula>C28H38O7</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-06T03:23:45Z</created-at> <updated-at type="dateTime">2026-04-06T03:23:45Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[H]C1(C)C(=O)[C@]2(C)C(C)=C[C@]3([H])[C@](C)(CC[C@]4([H])C(C)(C)[C@]([H])(CC[C@@]34C=O)OC(C)=O)[C@]2(C(=O)OC)C1=O</moldb-smiles> <moldb-formula>C28H38O7</moldb-formula> <moldb-inchi>InChI=1S/C28H38O7/c1-15-13-19-25(6,28(23(33)34-8)22(32)16(2)21(31)26(15,28)7)11-9-18-24(4,5)20(35-17(3)30)10-12-27(18,19)14-29/h13-14,16,18-20H,9-12H2,1-8H3/t16?,18-,19-,20+,25+,26+,27+,28-/m1/s1</moldb-inchi> <moldb-inchikey>GRBXDBNJGZRK-GJEDHNSHSA-N</moldb-inchikey> <moldb-average-mass type="decimal">486.605</moldb-average-mass> <moldb-mono-mass type="decimal">486.2617536</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM116710</chemdb-id> <dsstox-id>DTXSID70938482</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00097084</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Steroids and steroid derivatives</klass> <subklass>Steroid esters</subklass> <paper-count type="integer">137</paper-count> <sync-id>CED0017256</sync-id> <structure-inchikey>GRBXNADBNJGZRK-GJEDHNSHSA-N</structure-inchikey> <structure-fingerprint>200000000000100000004000000000100000000000008000000000000400010040000000020000000000000000000000000000000000000000200000100004000000410008000000200000000000020000000000b00040000000000000000400000010000004040002200000050000002020000000000000000000800500010000048000000000000000200000080200000000800010000000000000020000000040004000000000000080000000000000800000000000000010000000000200000000000000000000000800000000000000020002000000040000000000000008000000000001840000000000400000000000000000000000000000000</structure-fingerprint> 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