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CHEBI:226581 - Ascosteroside D

ChEBI IDCHEBI:226581
ChEBI NameAscosteroside D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H54O9
Net Charge0
Average Mass618.808
Monoisotopic Mass618.37678
SMILESC=C1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@]1(C(=O)O)[C@H](O)C[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC3
InChIInChI=1S/C35H54O9/c1-18(2)8-7-9-19(3)24-16-27(37)35(32(41)42)23-11-10-21-20(4)25(13-14-33(21,5)22(23)12-15-34(24,35)6)43-31-30(40)29(39)28(38)26(17-36)44-31/h8,19,21,24-31,36-40H,4,7,9-17H2,1-3,5-6H3,(H,41,42)/t19-,21+,24-,25-,26-,27-,28-,29+,30-,31+,33+,34-,35-/m1/s1
InChIKeyVODJSWBCVSFVCA-ZHPAABMZSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies FKI-6682 (ncbitaxon:1546023) - PubMed (29018265)
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)
Ascosteroside D (CHEBI:226581) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(3R,5R,10S,13R,14S,15R,17R)-15-hydroxy-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-4-methylidene-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid
Manual XrefsDatabases
78438831ChemSpider