(Q123340486)

English

Pelargonidin 3-robinobioside

chemical compound

In more languages

Statements

type of chemical entity

0 references

flavylium compound

1 reference

based on heuristic

inferred from SMILES

579.17083209209 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(2R,3R,4S,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

pelargonidin 3-O-rutinoside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₁O₁₄⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1OC(OCC2OC(Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)cc3)C(O)C(O)C2O)C(O)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)O[C@H]1OC1=CC2C(=CC(=CC=2[O+]=C1C1=CC=C(C=C1)O)O)O

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Identifiers

InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(38-10)37-9-18-20(32)22(34)24(36)27(41-18)40-17-8-14-15(30)6-13(29)7-16(14)39-25(17)11-2-4-12(28)5-3-11/h2-8,10,18-24,26-27,31-36H,9H2,1H3,(H2-,28,29,30)/p+1/t10-,18+,19-,20-,21+,22-,23+,24+,26+,27+/m0/s1

1 reference

based on heuristic

inferred from SMILES

IFYOHQQBIKDHFT-SAWCTVIXSA-O

1 reference

based on heuristic

inferred from SMILES

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

IFYOHQQBIKDHFT-SAWCTVIXSA-O

0 references

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