(Q104918598)

English

1-O-methyl 16-O-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate

chemical compound

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type of chemical entity

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1-O-methyl 16-O-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate

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based on heuristic

inferred from SMILES

mass

504.235932732 dalton

1 reference

1 reference

inferred from InChIKey

chemical formula

C₂₇H₃₆O₉

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canonical SMILES

O=C(OC)C(=CC=CC(=CC=CC=C(C=CC=C(C(=O)OC1OC(CO)C(O)C(O)C1O)C)C)C)C

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isomeric SMILES

COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O

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found in taxon

Crocus sativus

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stated in

Constituents of the stigmas of Crocus sativus and their tyrosinase inhibitory activity

Identifiers

InChI

InChI=1S/C27H36O9/c1-17(12-8-14-19(3)25(32)34-5)10-6-7-11-18(2)13-9-15-20(4)26(33)36-27-24(31)23(30)22(29)21(16-28)35-27/h6-15,21-24,27-31H,16H2,1-5H3/b7-6+,12-8+,13-9+,17-10+,18-11+,19-14+,20-15+/t21-,22+,23-,24-,27-/m0/s1

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InChIKey

ATQIQIBBBWQWOT-HNRMKNASSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104918598)

1-O-methyl 16-O-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate

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