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CHEBI:201704 - Monohydroxyisoaflavinine

ChEBI IDCHEBI:201704
ChEBI NameMonohydroxyisoaflavinine
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SubmitterMetaboLights
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FormulaC28H39NO2
Net Charge0
Average Mass421.625
Monoisotopic Mass421.29808
SMILESC=C(C)C1CCC23C(O)CCC(C)C2(C)C(O)CC(C)C3C1c1cnc2ccccc12
InChIInChI=1S/C28H39NO2/c1-16(2)19-12-13-28-23(30)11-10-18(4)27(28,5)24(31)14-17(3)26(28)25(19)21-15-29-22-9-7-6-8-20(21)22/h6-9,15,17-19,23-26,29-31H,1,10-14H2,2-5H3
InChIKeyKHMAONVROPNUDX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Monohydroxyisoaflavinine (CHEBI:201704) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,4R,4aS,5R,7R,7aS,8S,9R,11aS)-8-(1H-indol-3-yl)-4,4a,7-trimethyl-9-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,8,9,10,11-dodecahydrobenzo[d]naphthalene-1,5-diol