(Q105148737)

English

methyl (2E,4R,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 14-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoate

1 reference

based on heuristic

inferred from SMILES

mass

674.351356408 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₄O₁₄

0 references

canonical SMILES

O=C(OC)C(=CC(O)CC(=CCCC(=CCCC(OC1OC(CO)C(O)C(O)C1OC2OC(CO)C(O)C(O)C2O)(C=C)C)C)C)C

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isomeric SMILES

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

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found in taxon

Capsicum annuum

1 reference

stated in

New Constituents of SweetCapsicum annuumL. Fruits and Evaluation of Their Biological Activity

Identifiers

InChI

InChI=1S/C33H54O14/c1-7-33(5,13-9-12-18(2)10-8-11-19(3)14-21(36)15-20(4)30(42)43-6)47-32-29(27(40)25(38)23(17-35)45-32)46-31-28(41)26(39)24(37)22(16-34)44-31/h7,11-12,15,21-29,31-32,34-41H,1,8-10,13-14,16-17H2,2-6H3/b18-12+,19-11+,20-15+/t21-,22-,23-,24-,25-,26+,27+,28-,29-,31+,32+,33-/m1/s1

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InChIKey

LAMRTXHVEXWMOH-FJTDXRJLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LAMRTXHVEXWMOH-FJTDXRJLSA-N

(Q105148737)

methyl (2E,4R,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoate

Statements

Identifiers

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