3,4,5-trihydroxy-2-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-6-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-2-en-1-one (CHEBI:177956)

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CHEBI:177956 - 3,4,5-trihydroxy-2-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-6-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-2-en-1-one

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ChEBI ID	CHEBI:177956
ChEBI Name	3,4,5-trihydroxy-2-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-6-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-2-en-1-one
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Submitter	MetaboLights
Downloads	Molfile

Formula	C27H34O16
Net Charge	0
Average Mass	614.553
Monoisotopic Mass	614.18469
SMILES	O=C(/C=C/c1ccc(O)cc1)C1C(=O)C(C(O)C2OCC(O)C(O)C2O)=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C1O
InChI	InChI=1S/C27H34O16/c28-7-13-17(33)20(36)22(38)26(43-13)27(41)24(39)14(11(30)6-3-9-1-4-10(29)5-2-9)18(34)15(25(27)40)19(35)23-21(37)16(32)12(31)8-42-23/h1-6,12-14,16-17,19-24,26,28-29,31-33,35-41H,7-8H2/b6-3+
InChIKey	LLIOFHVEDBTPNU-ZZXKWVIFSA-N

Species of Metabolite	Component	Source	Comments
Bombyx mori (ncbitaxon:7091)	hemolymph (BTO:0000572)	Article

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	3,4,5-trihydroxy-2-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-6-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-2-en-1-one (CHEBI:177956) is a hydroxycinnamic acid (CHEBI:24689)

IUPAC Name
3,4,5-trihydroxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-[hydroxy-(3,4,5-trihydroxyoxan-2-yl)methyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-2-en-1-one

Manual Xrefs	Databases
HMDB0128221	HMDB