(Q104397537)

English

Methyl (3E)-3-[2-(acetyloxy)ethylidene]-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate

group of stereoisomers with the chemical formula C₂₇H₃₄O₁₄

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Statements

instance of

group of stereoisomers

0 references

subclass of

secoiridoid monoterpenoid

1 reference

inferred from

secoiridoid monoterpenoid

mass

582.194855768 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄O₁₄

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canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CCOC(=O)C)C1CC(=O)OCCC3=CC=C(O)C=C3

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isomeric SMILES

COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)/C(=C/COC(C)=O)C1CC(=O)OCCc1ccc(O)cc1

1 reference

1 reference

Studies on the Constituents of Osmanthus Species. IV. On the Components of the Leaves of Osmanthus fortunei CARR.

Osmanthus fragrans

1 reference

stated in

Studies on the Constituents of Osmanthus Species. I. On the Components of the Leaves of Osmanthus fragrans LOUR. var. aurantiacus MAKINO (1)

Osmanthus ilicifolius

1 reference

stated in

Studies on the Constituents of Osmanthus Species. III. On the Components of the Leaves of Osmanthus ilicifolius (HASSK.) MOUILLEFERT

Osmanthus heterophyllus

1 reference

stated in

Studies on the Constituents of Osmanthus Species. III. On the Components of the Leaves of Osmanthus ilicifolius (HASSK.) MOUILLEFERT

Identifiers

InChI

InChI=1S/C27H34O14/c1-14(29)37-10-8-17-18(11-21(31)38-9-7-15-3-5-16(30)6-4-15)19(25(35)36-2)13-39-26(17)41-27-24(34)23(33)22(32)20(12-28)40-27/h3-6,8,13,18,20,22-24,26-28,30,32-34H,7,9-12H2,1-2H3/b17-8+

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InChIKey

DKRXODJAISNRGA-CAOOACKPSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

DKRXODJAISNRGA-CAOOACKPSA-N

ChEBI ID

184426

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C27H34O14/c1-14(29)37-10-8-17-18(11-21(31)38-9-7-15-3-5-16(30)6-4-15)19(25(35)36-2)13-39-26(17)41-27-24(34)23(33)22(32)20(12-28)40-27/h3-6,8,13,18,20,22-24,26-28,30,32-34H,7,9-12H2,1-2H3/b17-8+

1 reference

Human Metabolome Database ID

HMDB0035217

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DKRXODJAISNRGA-CAOOACKPSA-N

(Q104397537)

Methyl (3E)-3-[2-(acetyloxy)ethylidene]-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate

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