(Q110190039)

English

[3,4,5-Trihydroxy-6-[[2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methyl 7-(hydroxymethyl)-3,11-dimethyldodecanoate

group of stereoisomers with the chemical formula C₃₇H₅₂O₁₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

688.345877104 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₅₂O₁₂

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canonical SMILES

O=C(OCC1OC(OC2=CC=C3C(=O)CC(OC3=C2)C4=CC=C(OC)C(O)=C4)C(O)C(O)C1O)CC(C)CCCC(CO)CCCC(C)C

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found in taxon

Catharanthus roseus

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stated in

Flavonoid glucosides from the hairy roots of Catharanthus roseus.

Identifiers

InChI

InChI=1S/C37H52O12/c1-21(2)7-5-9-23(19-38)10-6-8-22(3)15-33(41)46-20-32-34(42)35(43)36(44)37(49-32)47-25-12-13-26-27(39)18-30(48-31(26)17-25)24-11-14-29(45-4)28(40)16-24/h11-14,16-17,21-23,30,32,34-38,40,42-44H,5-10,15,18-20H2,1-4H3

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InChIKey

JJNAVFIKRJWKGP-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JJNAVFIKRJWKGP-UHFFFAOYSA-N

(Q110190039)

[3,4,5-Trihydroxy-6-[[2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methyl 7-(hydroxymethyl)-3,11-dimethyldodecanoate

Statements

Identifiers

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