CHEBI:203792 - Butyl lucidenate P

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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 Butyl lucidenate P
ChEBI ID CHEBI:203792
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H50O8
Net Charge 0
Average Mass 574.755
Monoisotopic Mass 574.35057
InChI InChI=1S/C33H50O8/c1-9-10-15-40-25(38)12-11-18(2)20-16-24(37)33(8)26-21(35)17-22-30(4,5)23(36)13-14-31(22,6)27(26)28(39)29(32(20,33)7)41-19(3)34/h18,20-23,29,35-36H,9-17H2,1-8H3/t18-,20-,21+,22?,23+,29-,31+,32+,33+/m1/s1
InChIKey KLJAWVAKODZGOX-NNFQMCRNSA-N
SMILES O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3([C@@H]1OC(=O)C)C)[C@@H](CCC(=O)OCCCC)C)C)[C@@H](O)CC4[C@@]2(CC[C@@H](C4(C)C)O)C
Metabolite of Species Details
Ganoderma lucidum (NCBI:txid5315) See: PubMed
ChEBI Ontology
Outgoing Butyl lucidenate P (CHEBI:203792) is a triterpenoid (CHEBI:36615)
IUPAC Name
butyl (4R)-4-[(3S,7S,10S,12S,13R,14R,17R)-12-acetyloxy-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Manual Xref Database
28637673 ChemSpider
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