1-[(3S,10R,12S,13S,14S,17S)-11,12,14-trihydroxy-3-[4-methoxy-5-[4-methoxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone (CHEBI:182256)

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CHEBI:182256 - 1-[(3S,10R,12S,13S,14S,17S)-11,12,14-trihydroxy-3-[4-methoxy-5-[4-methoxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone

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ChEBI ID	CHEBI:182256
ChEBI Name	1-[(3S,10R,12S,13S,14S,17S)-11,12,14-trihydroxy-3-[4-methoxy-5-[4-methoxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C41H66O15
Net Charge	0
Average Mass	798.964
Monoisotopic Mass	798.44017
SMILES	COC1CC(O[C@H]2CC[C@@]3(C)C(=CCC4C3C(O)[C@@H](O)[C@]3(C)[C@@H](C(C)=O)CC[C@]43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(O)C2O)C(C)O1
InChI	InChI=1S/C41H66O15/c1-18(42)24-12-14-41(48)25-10-9-22-15-23(11-13-39(22,5)30(25)32(44)37(47)40(24,41)6)54-28-16-26(49-7)35(20(3)51-28)55-29-17-27(50-8)36(21(4)52-29)56-38-34(46)33(45)31(43)19(2)53-38/h9,19-21,23-38,43-48H,10-17H2,1-8H3/t19?,20?,21?,23-,24+,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37+,38?,39-,40-,41-/m0/s1
InChIKey	UPGNUKWUJCJKHN-RJOBNQAYSA-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)
	1-[(3S,10R,12S,13S,14S,17S)-11,12,14-trihydroxy-3-[4-methoxy-5-[4-methoxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone (CHEBI:182256) is a steroid saponin (CHEBI:61655)

IUPAC Name
1-[(3S,10R,12S,13S,14S,17S)-11,12,14-trihydroxy-3-[4-methoxy-5-[4-methoxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone

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