CHEBI:75516 - 7-O-(6-sinapoylglucosyl)isoorientin

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ChEBI Name 7-O-(6-sinapoylglucosyl)isoorientin
ChEBI ID CHEBI:75516
ChEBI ASCII Name 7-O-(6-sinapoylglucosyl)isoorientin
Definition A C-glycosyl compound that is isoorientin in which the hydroxyl hydrogen at position 7 is replaced by a 6-sinapoylglucosyl residue.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C38H40O20
Net Charge 0
Average Mass 816.71220
Monoisotopic Mass 816.21129
InChI InChI=1S/C38H40O20/c1-52-22-7-14(8-23(53-2)29(22)44)3-6-26(43)54-13-25-31(46)34(49)36(51)38(58-25)57-21-11-20-27(18(42)10-19(55-20)15-4-5-16(40)17(41)9-15)32(47)28(21)37-35(50)33(48)30(45)24(12-39)56-37/h3-11,24-25,30-31,33-41,44-51H,12-13H2,1-2H3/b6-3+/t24-,25-,30-,31-,33+,34+,35-,36-,37+,38?/m1/s1
InChIKey SPZZJPXQZUPDMN-JXXWXCJOSA-N
SMILES COc1cc(\C=C\C(=O)OC[C@H]2OC(Oc3cc4oc(cc(=O)c4c(O)c3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 7-O-(6-sinapoylglucosyl)isoorientin (CHEBI:75516) has functional parent trans-sinapic acid (CHEBI:15714)
7-O-(6-sinapoylglucosyl)isoorientin (CHEBI:75516) has functional parent isoorientin (CHEBI:17965)
7-O-(6-sinapoylglucosyl)isoorientin (CHEBI:75516) has role metabolite (CHEBI:25212)
7-O-(6-sinapoylglucosyl)isoorientin (CHEBI:75516) is a C-glycosyl compound (CHEBI:20857)
7-O-(6-sinapoylglucosyl)isoorientin (CHEBI:75516) is a cinnamate ester (CHEBI:36087)
7-O-(6-sinapoylglucosyl)isoorientin (CHEBI:75516) is a glycosyloxyflavone (CHEBI:50018)
7-O-(6-sinapoylglucosyl)isoorientin (CHEBI:75516) is a trihydroxyflavone (CHEBI:27116)
Last Modified
21 November 2013