(Q104392176)

English

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (3R,4S,5S,6R)-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

group of stereoisomers with the chemical formula C₃₂H₄₄O₁₄

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

652.273106088 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₄O₁₄

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C(=CC=CC(=CC=CC=C(C=CC=C(C(=O)OC2OC(CO)C(O)C(O)C2O)C)C)C)C

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isomeric SMILES

CC(/C=C/C=C(\C)C(=O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=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

Post-harvest degradation of carotenoid glucose esters in saffron

Identifiers

InChI

InChI=1S/C32H44O14/c1-17(11-7-13-19(3)29(41)45-31-27(39)25(37)23(35)21(15-33)43-31)9-5-6-10-18(2)12-8-14-20(4)30(42)46-32-28(40)26(38)24(36)22(16-34)44-32/h5-14,21-28,31-40H,15-16H2,1-4H3/b6-5+,11-7+,12-8+,17-9+,18-10+,19-13+,20-14+/t21-,22-,23-,24-,25+,26+,27-,28-,31+,32?/m1/s1

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InChIKey

QBZWPZHDUZGTLS-BLVFRQJQSA-N

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26 December 2021

matched by identifier from

InChIKey

QBZWPZHDUZGTLS-BLVFRQJQSA-N

1 reference

Human Metabolome Database ID

HMDB0002353

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

QBZWPZHDUZGTLS-BLVFRQJQSA-N

(Q104392176)

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (3R,4S,5S,6R)-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

Statements

Identifiers

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