(Q106030690)

English

Luteolin 7,3'-digalacturonide

chemical compound

(3R,4S,6S)-6-[2-[3-[(2S,4S,5R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

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instance of

type of chemical entity

0 references

1 reference

638.1119139919999 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3S,4S,5S,6S)-6-[2-[3-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3S,4S,5R,6S)-6-[2-[3-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

1 reference

based on heuristic

inferred from InChI

Luteolin 7,3'-di-O-glucuronide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₂₆O₁₈

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=C(O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(OC5OC(C(=O)O)C(O)C(O)C5O)c4)oc3c2)C(O)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

O=C(O)C1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O[C@@H]5OC(C(=O)O)[C@H](O)[C@H](O)C5O)c4)oc3c2)C(O)[C@@H](O)[C@H]1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C27H26O18/c28-9-2-1-7(3-13(9)43-27-21(36)17(32)19(34)23(45-27)25(39)40)12-6-11(30)15-10(29)4-8(5-14(15)42-12)41-26-20(35)16(31)18(33)22(44-26)24(37)38/h1-6,16-23,26-29,31-36H,(H,37,38)(H,39,40)/t16-,17-,18+,19+,20?,21?,22?,23?,26+,27+/m0/s1

1 reference

stated in

ChEBI release 2021-03-01

InChIKey

OPANBGHBBMSMQC-LPAQUCEOSA-N

1 reference

stated in

ChEBI release 2021-03-01

PubChem CID

44258092

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

InChIKey

OPANBGHBBMSMQC-LPAQUCEOSA-N

ChEBI ID

166632

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C27H26O18/c28-9-2-1-7(3-13(9)43-27-21(36)17(32)19(34)23(45-27)25(39)40)12-6-11(30)15-10(29)4-8(5-14(15)42-12)41-26-20(35)16(31)18(33)22(44-26)24(37)38/h1-6,16-23,26-29,31-36H,(H,37,38)(H,39,40)/t16-,17-,18+,19+,20?,21?,22?,23?,26+,27+/m0/s1

1 reference

1 reference

OPANBGHBBMSMQC-LPAQUCEOSA-N

17 April 2021

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

(Q106030690)

Luteolin 7,3'-digalacturonide

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