(Q110204451)

English

BPEOHZRDZDSMRD-UHFFFAOYSA-O

group of stereoisomers with the chemical formula C₅₁H₅₁O₂₉⁺

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Statements

group of stereoisomers

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1,127.25105203209 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₅₁H₅₁O₂₉⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=C(OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C=4C=CC(O)=CC4)C(O)C(O)C1O)CC(=O)OCC5OC(OCC6OC(OC7=CC=8C(O)=CC(O)=CC8[O+]=C7C=9C=C(O)C(O)=C(O)C9)C(O)C(O)C6O)C(O)C(O)C5O

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Eichhornia crassipes

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(Delphinidin 3-gentiobiosyl) (apigenin 7-glucosyl) malonate from the flowers of Eichhornia crassipes.

Pontederia crassipes

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(Delphinidin 3-gentiobiosyl) (apigenin 7-glucosyl) malonate from the flowers of Eichhornia crassipes.

Identifiers

InChI=1S/C51H50O29/c52-19-3-1-17(2-4-19)28-12-25(56)37-24(55)9-21(10-30(37)75-28)74-50-46(69)43(66)40(63)33(79-50)15-72-36(60)13-35(59)71-14-32-39(62)42(65)45(68)49(78-32)73-16-34-41(64)44(67)47(70)51(80-34)77-31-11-22-23(54)7-20(53)8-29(22)76-48(31)18-5-26(57)38(61)27(58)6-18/h1-12,32-34,39-47,49-51,62-70H,13-16H2,(H6-,52,53,54,55,56,57,58,61)/p+1

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BPEOHZRDZDSMRD-UHFFFAOYSA-O

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2 references

15 September 2022

matched by identifier from

BPEOHZRDZDSMRD-UHFFFAOYSA-O

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