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CHEBI:209668 - Fumihopaside B

ChEBI IDCHEBI:209668
ChEBI NameFumihopaside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H58O9
Net Charge0
Average Mass634.851
Monoisotopic Mass634.40808
SMILESC=C(C(=O)O)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12
InChIInChI=1S/C36H58O9/c1-19(30(42)43)20-9-13-32(2)21(20)10-15-35(5)24(32)7-8-25-33(3)14-12-26(38)34(4,23(33)11-16-36(25,35)6)18-44-31-29(41)28(40)27(39)22(17-37)45-31/h20-29,31,37-41H,1,7-18H2,2-6H3,(H,42,43)/t20-,21+,22-,23-,24-,25-,26+,27-,28+,29-,31+,32+,33+,34-,35-,36-/m1/s1
InChIKeyCDXFIIJJBSZVKV-DADTXQHTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - PubMed (30977375)
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)
Fumihopaside B (CHEBI:209668) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
2-[(3S,3aS,5aR,5bR,7aR,8S,9S,11aR,11bR,13aR,13bS)-9-hydroxy-5a,5b,8,11a,13b-pentamethyl-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]prop-2-enoic acid