CHEBI:202400 - 20-hydroxylucidenic acid E2

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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 20-hydroxylucidenic acid E2
ChEBI ID CHEBI:202400
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H40O9
Net Charge 0
Average Mass 532.630
Monoisotopic Mass 532.26723
InChI InChI=1S/C29H40O9/c1-14(30)38-24-23(36)22-21(15(31)12-16-25(2,3)18(32)8-10-26(16,22)4)29(7)19(33)13-17(28(24,29)6)27(5,37)11-9-20(34)35/h16-18,24,32,37H,8-13H2,1-7H3,(H,34,35)/t16-,17+,18-,24+,26-,27?,28-,29-/m0/s1
InChIKey JZZMIFMLEGZFJO-TYVNISONSA-N
SMILES O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(C(=O)C[C@@H]([C@]4([C@@H]1OC(=O)C)C)C(O)(CCC(=O)O)C)C
Metabolite of Species Details
Ganoderma lucidum (NCBI:txid5315) See: PubMed
ChEBI Ontology
Outgoing 20-hydroxylucidenic acid E2 (CHEBI:202400) is a triterpenoid (CHEBI:36615)
IUPAC Name
4-[(3S,5R,10S,12S,13R,14R,17S)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-4-hydroxypentanoic acid
Manual Xref Database
9618843 ChemSpider
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