(Q105142022)

English

3-[[6-O-(4-Hydroxy-trans-cinnamoyl)-beta-D-glucopyranosyl]oxy]-3',4',5,7-tetrahydroxy-6-methoxyflavone

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

640.142820196 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₂₈O₁₅

0 references

canonical SMILES

O=C(OCC1OC(OC=2C(=O)C3=C(O)C(OC)=C(O)C=C3OC2C=4C=CC(O)=C(O)C4)C(O)C(O)C1O)C=CC5=CC=C(O)C=C5

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isomeric SMILES

COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](COC(=O)/C=C/c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)c(=O)c2c1O

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found in taxon

Paepalanthus robustus

1 reference

stated in

Acyl glucosylated flavonols from Paepalanthus species

Paepalanthus hilairei

1 reference

stated in

Acyl glucosylated flavonols from Paepalanthus species

Paepalanthus denudatus

1 reference

stated in

Acyl glucosylated flavonols from Paepalanthus species

Paepalanthus polyanthus

1 reference

stated in

Acyl glucosylated flavonols from Paepalanthus species

Identifiers

InChI

InChI=1S/C31H28O15/c1-42-29-18(35)11-19-22(24(29)38)25(39)30(28(44-19)14-5-8-16(33)17(34)10-14)46-31-27(41)26(40)23(37)20(45-31)12-43-21(36)9-4-13-2-6-15(32)7-3-13/h2-11,20,23,26-27,31-35,37-38,40-41H,12H2,1H3/b9-4+/t20-,23-,26+,27-,31+/m1/s1

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InChIKey

KJWWXDAOVGVYQG-JYTUTVMXSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

KJWWXDAOVGVYQG-JYTUTVMXSA-N

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

15 January 2022

InChIKey

KJWWXDAOVGVYQG-JYTUTVMXSA-N

(Q105142022)

3-[[6-O-(4-Hydroxy-trans-cinnamoyl)-beta-D-glucopyranosyl]oxy]-3',4',5,7-tetrahydroxy-6-methoxyflavone

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