Hypomonticuside (CHEBI:214564)

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CHEBI:214564 - Hypomonticuside

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ChEBI ID	CHEBI:214564
ChEBI Name	Hypomonticuside
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H44O7
Net Charge	0
Average Mass	468.631
Monoisotopic Mass	468.30870
SMILES	CO[C@@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C[C@@](C)(CCO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)CC[C@@H]12
InChI	InChI=1S/C26H44O7/c1-24(12-13-32-23-22(30)21(29)20(28)18(15-27)33-23)11-8-17-16(14-24)6-7-19-25(17,2)9-5-10-26(19,3)31-4/h6,17-23,27-30H,5,7-15H2,1-4H3/t17-,18+,19+,20+,21-,22-,23-,24+,25+,26-/m0/s1
InChIKey	BUPSMGKNRILOLI-YLRLNHSLSA-N

Species of Metabolite	Component	Source	Comments
Corynespora smithii (ncbitaxon:634374)	-	DOI (10.1007/s10600-020-03060-9)

ChEBI Ontology

Outgoing Relation(s)
	Hypomonticuside (CHEBI:214564) is a O-acyl carbohydrate (CHEBI:52782)

IUPAC Name
(2S,3S,4S,5S,6R)-2-[2-[(2S,4aS,4bR,8S,8aR)-8-methoxy-2,4b,8-trimethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-2-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol