CHEBI:209425 - Inonotsudiol A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Inonotsudiol A
ChEBI ID CHEBI:209425
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H50O2
Net Charge 0
Average Mass 442.728
Monoisotopic Mass 442.38108
InChI InChI=1S/C30H50O2/c1-19(2)10-9-11-20(3)21-14-17-29(7)22-12-13-24-27(4,5)25(32)15-16-28(24,6)26(22)23(31)18-30(21,29)8/h10,20-21,23-25,31-32H,9,11-18H2,1-8H3
InChIKey WNVDPHMLWOSJRD-UHFFFAOYSA-N
SMILES OC1C2=C(C3(CCC(C3(C1)C)C(CCC=C(C)C)C)C)CCC4C2(CCC(C4(C)C)O)C
Metabolite of Species Details
Inonotus obliquus (NCBI:txid167356) See: PubMed
ChEBI Ontology
Outgoing Inonotsudiol A (CHEBI:209425) is a triterpenoid (CHEBI:36615)
IUPAC Name
4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
Manual Xref Database
78444386 ChemSpider
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