CHEBI:219061 - Fuscoporianol B

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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 Fuscoporianol B
ChEBI ID CHEBI:219061
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H50O4
Net Charge 0
Average Mass 474.726
Monoisotopic Mass 474.37091
InChI InChI=1S/C30H50O4/c1-19(23(31)13-15-26(2,3)34-33)20-11-17-30(8)22-9-10-24-27(4,5)25(32)14-16-28(24,6)21(22)12-18-29(20,30)7/h13,15,19-20,23-25,31-33H,9-12,14,16-18H2,1-8H3/b15-13+/t19-,20+,23+,24?,25-,28+,29+,30-/m0/s1
InChIKey KNMBOYCUVCAVSX-BNZWVBGMSA-N
SMILES O(O)C(/C=C/[C@@H](O)[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4(C(C([C@@H](O)CC4)(C)C)CC3)C)CC2)(C)CC1)C)C)(C)C
Metabolite of Species Details
Fuscoporia (NCBI:txid175855) See: PubMed
ChEBI Ontology
Outgoing Fuscoporianol B (CHEBI:219061) is a triterpenoid (CHEBI:36615)
IUPAC Name
(3S,10S,13R,14R,17R)-17-[(E,2S,3R)-6-hydroperoxy-3-hydroxy-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