(Q28529680)

English

cis-coumarinic acid-beta-D-glucoside

chemical compound

In more languages

Statements

type of chemical entity

0 references

3-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

326.100167536 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₁₈O₈

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canonical SMILES

O=C(O)C=CC=1C=CC=CC1OC2OC(CO)C(O)C(O)C2O

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isomeric SMILES

OC[C@H]1O[C@@H](Oc2ccccc2\C=C/C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O

0 references

1 reference

Recon 2.2: from reconstruction to model of human metabolism

1 reference

High-performance liquid chromatography-diode array detection/electrospray ionization mass spectrometry for the simultaneous analysis of cis-, trans- and dihydro-2-glucosyloxycinnamic acid derivatives from Dendrobium medicinal plants

Identifiers

InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5-/t10-,12-,13+,14-,15-/m1/s1

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GVRIYIMNJGULCZ-QLFWQTQQSA-N

1 reference

ChEBI release 2020-09-01

1 reference

matched by identifier from

GVRIYIMNJGULCZ-QLFWQTQQSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5-/t10-,12-,13+,14-,15-/m1/s1

UniChem compound ID

1 reference

Cannabis Database ID

1 reference

Cannabis Database

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

GVRIYIMNJGULCZ-QLFWQTQQSA-N

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