(Q110187318)

English

Linusitamarin

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

methyl (2Z)-3-(3-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

370.126382284 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₂O₉

0 references

canonical SMILES

O=C(OC)C=CC=1C=C(OC)C=C(OC2OC(CO)C(O)C(O)C2O)C1

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isomeric SMILES

COC(=O)/C=C/c1cc(OC)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1

0 references

found in taxon

Linum usitatissimum

1 reference

stated in

Linusitamarin, a new phenylpropanoid glucoside from Linum usitatissimum

Identifiers

InChI

InChI=1S/C17H22O9/c1-23-10-5-9(3-4-13(19)24-2)6-11(7-10)25-17-16(22)15(21)14(20)12(8-18)26-17/h3-7,12,14-18,20-22H,8H2,1-2H3/b4-3+/t12-,14-,15+,16-,17-/m1/s1

0 references

InChIKey

USFDIQKRDRIDPN-CTYIEIGBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

USFDIQKRDRIDPN-CTYIEIGBSA-N

ChEBI ID

172601

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C17H22O9/c1-23-10-5-9(3-4-13(19)24-2)6-11(7-10)25-17-16(22)15(21)14(20)12(8-18)26-17/h3-7,12,14-18,20-22H,8H2,1-2H3/b4-3+/t12-,14-,15+,16-,17-/m1/s1

1 reference

(Q110187318)

Linusitamarin

Statements

Identifiers

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