2-Hydroxymethyl-delta3, 4-glucopiericidin A (CHEBI:212821)

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CHEBI:212821 - 2-Hydroxymethyl-delta3, 4-glucopiericidin A

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ChEBI ID	CHEBI:212821
ChEBI Name	2-Hydroxymethyl-delta3, 4-glucopiericidin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H49NO10
Net Charge	0
Average Mass	607.741
Monoisotopic Mass	607.33565
SMILES	C/C=C(\C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](C)/C=C(C)/C=C/C=C(\C)C(Cc1nc(OC)c(OC)c(=O)c1C)OC
InChI	InChI=1S/C32H49NO10/c1-10-18(3)29(43-32-28(38)27(37)26(36)24(16-34)42-32)20(5)14-17(2)12-11-13-19(4)23(39-7)15-22-21(6)25(35)30(40-8)31(33-22)41-9/h10-14,20,23-24,26-29,32,34,36-38H,15-16H2,1-9H3,(H,33,35)/b12-11+,17-14+,18-10+,19-13+/t20-,23?,24-,26-,27+,28-,29+,32+/m1/s1
InChIKey	JYSJQDSRHUVMMP-IBQWKWBASA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (31298537)

ChEBI Ontology

Outgoing Relation(s)
	2-Hydroxymethyl-delta3, 4-glucopiericidin A (CHEBI:212821) is a terpene glycoside (CHEBI:61777)

IUPAC Name
2,3-dimethoxy-6-[(3E,5E,7E,9R,10R,11E)-2-methoxy-3,7,9,11-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-3,5,7,11-tetraenyl]-5-methyl-1H-pyridin-4-one

Manual Xrefs	Databases
88293813	ChemSpider