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CHEBI:206948 - Formipinioside

ChEBI IDCHEBI:206948
ChEBI NameFormipinioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H58O9
Net Charge0
Average Mass646.862
Monoisotopic Mass646.40808
SMILESC=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]([C@@H](CCC=C(C)C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]23C)[C@@]1(C)CCC(=O)OC
InChIInChI=1S/C37H58O9/c1-21(2)10-9-11-23(33(43)46-34-32(42)31(41)30(40)28(20-38)45-34)25-14-18-37(7)27-13-12-24(22(3)4)35(5,17-16-29(39)44-8)26(27)15-19-36(25,37)6/h10,23-25,28,30-32,34,38,40-42H,3,9,11-20H2,1-2,4-8H3/t23-,24+,25-,28-,30-,31+,32-,34+,35+,36-,37+/m1/s1
InChIKeySHELUKOQOGXTLD-ZDFZJNRPSA-N
Species of MetaboliteComponentSourceComments
Fomitopsis (ncbitaxon:34474) - PubMed (31469960)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Formipinioside (CHEBI:206948) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R)-2-[(3R,3aR,6S,7S,9bR)-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoate