CHEBI:208337 - Inoterpene C

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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 Inoterpene C
ChEBI ID CHEBI:208337
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H50O3
Net Charge 0
Average Mass 458.727
Monoisotopic Mass 458.37600
InChI InChI=1S/C30H50O3/c1-20(10-9-16-26(2,3)33-32)21-13-18-30(8)23-11-12-24-27(4,5)25(31)15-17-28(24,6)22(23)14-19-29(21,30)7/h9,16,20-21,24-25,31-32H,10-15,17-19H2,1-8H3/t20-,21-,24+,25+,28-,29-,30+/m1/s1
InChIKey TXUMQRMGEPNFCA-GIICLEHTSA-N
SMILES O(O)C(C=CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)CC2)(C)CC1)C)C)(C)C
Metabolite of Species Details
Inonotus obliquus (NCBI:txid167356) See: DOI
ChEBI Ontology
Outgoing Inoterpene C (CHEBI:208337) is a triterpenoid (CHEBI:36615)
IUPAC Name
(3S,5R,10S,13R,14R,17R)-17-[(2R)-6-hydroperoxy-6-methylhept-4-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol