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CHEBI:200303 - Oligoporin A

Default Structure
ChEBI IDCHEBI:200303
ChEBI NameOligoporin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H54O9
Net Charge0
Average Mass630.819
Monoisotopic Mass630.37678
SMILESC/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]12C)C(=O)O
InChIInChI=1S/C36H54O9/c1-19(9-8-10-20(2)31(42)43)21-13-16-35(6)22-11-12-25-33(3,4)26(38)14-15-34(25,5)23(22)17-27(36(21,35)7)45-32-30(41)29(40)28(39)24(18-37)44-32/h10-11,17,19,21,24-25,27-30,32,37,39-41H,8-9,12-16,18H2,1-7H3,(H,42,43)/b20-10-/t19-,21-,24-,25+,27-,28-,29+,30-,32+,34-,35+,36+/m1/s1
InChIKeyPNDYOWJOYGHQBU-ZRWQLAOJSA-N
Species of MetaboliteComponentSourceComments
Postia tephroleuca (ncbitaxon:301414) - PubMed (17588752)
ChEBI Ontology
Outgoing Relation(s)
Oligoporin A (CHEBI:200303) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(Z,6R)-2-methyl-6-[(5R,10S,12R,13R,14S,17R)-4,4,10,13,14-pentamethyl-3-oxo-12-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
Manual XrefsDatabases
23305539ChemSpider