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CHEBI:216191 - 6alpha-hydroxyandrastin B

ChEBI IDCHEBI:216191
ChEBI Name6alpha-hydroxyandrastin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O8
Net Charge0
Average Mass504.620
Monoisotopic Mass504.27232
SMILESCOC(=O)[C@@]12C(=O)C(C)=C(O)[C@]1(C)C(C)=C[C@H]1[C@]3(CO)CC[C@H](OC(C)=O)C(C)(C)[C@H]3[C@@H](O)C[C@@]12C
InChIInChI=1S/C28H40O8/c1-14-11-18-25(6,28(23(34)35-8)22(33)15(2)21(32)26(14,28)7)12-17(31)20-24(4,5)19(36-16(3)30)9-10-27(18,20)13-29/h11,17-20,29,31-32H,9-10,12-13H2,1-8H3/t17-,18+,19-,20+,25-,26-,27+,28+/m0/s1
InChIKeyHYPKWVDZWILGKP-HGKJICHQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (26731665)
ChEBI Ontology
Outgoing Relation(s)
6alpha-hydroxyandrastin B (CHEBI:216191) is a steroid ester (CHEBI:47880)
IUPAC Name 
methyl (3S,5S,6S,8S,9R,10R,13R,14R)-3-acetyloxy-6,17-dihydroxy-10-(hydroxymethyl)-4,4,8,12,13,16-hexamethyl-15-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate
Manual XrefsDatabases
78439298ChemSpider