CHEBI:207932 - Ganorbiformin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Ganorbiformin B
ChEBI ID CHEBI:207932
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H50O7
Net Charge 0
Average Mass 570.767
Monoisotopic Mass 570.35565
InChI InChI=1S/C34H50O7/c1-19(30(38)39)10-11-26(40-21(3)35)20(2)23-12-17-34(9)29-24(13-16-33(23,34)8)32(7)15-14-28(41-22(4)36)31(5,6)27(32)18-25(29)37/h10,20,23,26-28H,11-18H2,1-9H3,(H,38,39)/t20-,23+,26-,27-,28-,32+,33+,34-/m0/s1
InChIKey FPSBBGUSAFEFFR-IHBVUAFPSA-N
SMILES O=C1C2=C([C@]3(CC[C@@H](C([C@@H]3C1)(C)C)OC(=O)C)C)CC[C@]4([C@]2(CC[C@@H]4[C@@H]([C@@H](OC(=O)C)CC=C(C(=O)O)C)C)C)C
Metabolite of Species Details
Ganoderma (NCBI:txid5314) See: PubMed
ChEBI Ontology
Outgoing Ganorbiformin B (CHEBI:207932) is a triterpenoid (CHEBI:36615)
IUPAC Name
(5S,6S)-5-acetyloxy-6-[(3S,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Manual Xref Database
78442106 ChemSpider
View more database links