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CHEBI:227980 - Oligoporin B

Default Structure
ChEBI IDCHEBI:227980
ChEBI NameOligoporin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H56O9
Net Charge0
Average Mass632.835
Monoisotopic Mass632.39243
SMILESC/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](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/C36H56O9/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/h10-11,17,19,21,24-30,32,37-41H,8-9,12-16,18H2,1-7H3,(H,42,43)/b20-10-/t19-,21-,24-,25+,26-,27-,28-,29+,30-,32+,34-,35+,36+/m1/s1
InChIKeyHYENOYNGIQMHMH-BGUZYTSYSA-N
Species of MetaboliteComponentSourceComments
Postia tephroleuca (ncbitaxon:301414) - PubMed (17588752)
ChEBI Ontology
Outgoing Relation(s)
Oligoporin B (CHEBI:227980) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(Z,6R)-6-[(3R,5R,10S,12R,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-12-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Manual XrefsDatabases
23305540ChemSpider