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CHEBI:220074 - Fornicatin B

ChEBI IDCHEBI:220074
ChEBI NameFornicatin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O6
Net Charge0
Average Mass460.611
Monoisotopic Mass460.28249
SMILESC=C(C)[C@@H]1C[C@H](O)C2=C(C(=O)C[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O
InChIInChI=1S/C27H40O6/c1-15(2)18-13-19(28)24-23(25(18,4)11-10-22(32)33)20(29)14-27(6)17(9-12-26(24,27)5)16(3)7-8-21(30)31/h16-19,28H,1,7-14H2,2-6H3,(H,30,31)(H,32,33)/t16-,17-,18+,19+,25+,26+,27-/m1/s1
InChIKeyYXVYBSGFMJBSQD-YDTNFRICSA-N
Species of MetaboliteComponentSourceComments
Ganoderma fornicatum (ncbitaxon:36071) - DOI (10.1016/j.tetlet.2004.02.056)
ChEBI Ontology
Outgoing Relation(s)
Fornicatin B (CHEBI:220074) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(4R)-4-[(3R,3aR,6S,7S,9S,9bR)-6-(2-carboxyethyl)-9-hydroxy-3a,6,9b-trimethyl-5-oxo-7-prop-1-en-2-yl-2,3,4,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]pentanoic acid
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