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CHEBI:182070 - [(3S,10R,13R,14R,17R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-yl] acetate

ChEBI IDCHEBI:182070
ChEBI Name[(3S,10R,13R,14R,17R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H46O11
Net Charge0
Average Mass606.709
Monoisotopic Mass606.30401
SMILESCO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2C=C3C(OC(C)=O)CC4(O)C(CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)CC2)[C@@H]1O
InChIInChI=1S/C32H46O11/c1-16-25(35)27(39-5)26(36)28(41-16)43-19-6-9-29(3)21(13-19)22(42-17(2)33)14-31(37)23(29)8-10-30(4)20(7-11-32(30,31)38)18-12-24(34)40-15-18/h12-13,16,19-20,22-23,25-28,35-38H,6-11,14-15H2,1-5H3/t16-,19+,20-,22?,23?,25+,26-,27+,28+,29+,30-,31?,32-/m1/s1
InChIKeyDPFSNFFFCPHBOW-JHSONMHFSA-N
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)
[(3S,10R,13R,14R,17R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-yl] acetate (CHEBI:182070) is a steroid saponin (CHEBI:61655)
IUPAC Name 
[(3S,10R,13R,14R,17R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-uran-3-yl)-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-yl] acetate
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