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CHEBI:225218 - Ganoweberianic acid E

Default Structure
ChEBI IDCHEBI:225218
ChEBI NameGanoweberianic acid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44O9
Net Charge0
Average Mass572.695
Monoisotopic Mass572.29853
SMILESCC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)[C@H](O)C[C@H]([C@H](C)CC(=O)C[C@H](C)C(=O)O)[C@@]12C
InChIInChI=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
InChIKeyNLNCTBLNKQLNSH-XCZNIKSMSA-N
Species of MetaboliteComponentSourceComments
Ganoderma weberianum (ncbitaxon:34468) - PubMed (33107297)
ChEBI Ontology
Outgoing Relation(s)
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