CHEBI:225218 - Ganoweberianic acid E

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 Ganoweberianic acid E
ChEBI ID CHEBI:225218
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H44O9
Net Charge 0
Average Mass 572.695
Monoisotopic Mass 572.29853
InChI InChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21,23,27,37H,9-14H2,1-8H3,(H,39,40)/t15-,16+,19-,21+,23-,27-,30+,31+,32+/m1/s1
InChIKey NLNCTBLNKQLNSH-XCZNIKSMSA-N
SMILES O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC(C3(C)C)=O)C)[C@@]4([C@H](O)C[C@@H]([C@]4([C@@H]1OC(=O)C)C)[C@@H](CC(=O)C[C@@H](C(=O)O)C)C)C
Metabolite of Species Details
Ganoderma weberianum (NCBI:txid34468) See: PubMed
ChEBI Ontology
Outgoing Ganoweberianic acid E (CHEBI:225218) is a triterpenoid (CHEBI:36615)
IUPAC Name
(2S,6R)-6-[(5R,10S,12S,13R,14R,15R,17R)-12-acetyloxy-15-hydroxy-4,4,10,13,14-pentamethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid