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CHEBI:209663 - Fumihopaside A

ChEBI IDCHEBI:209663
ChEBI NameFumihopaside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H60O10
Net Charge0
Average Mass652.866
Monoisotopic Mass652.41865
SMILESC[C@]12CC[C@H](O)[C@](C)(CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H]([C@](C)(O)C(=O)O)[C@@H]3CC[C@]21C
InChIInChI=1S/C36H60O10/c1-31-13-9-20(36(6,44)30(42)43)19(31)10-15-34(4)23(31)7-8-24-32(2)14-12-25(38)33(3,22(32)11-16-35(24,34)5)18-45-29-28(41)27(40)26(39)21(17-37)46-29/h19-29,37-41,44H,7-18H2,1-6H3,(H,42,43)/t19-,20-,21+,22+,23+,24+,25-,26+,27-,28+,29-,31-,32-,33+,34+,35+,36-/m0/s1
InChIKeyBSLRSZZCUIZWND-YDEHQZECSA-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 A (CHEBI:209663) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
(2S)-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]-2-hydroxypropanoic acid