LIPID MAPS

Structure Database (LMSD)

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Systematic Name

Cyanidin 3-O-[2-O-(6-O-E-caffeoyl-β-D-glucopyanosyl)]-{6-O-[4-O-(6-O-E-3,5-dihydroxycinnamoyl-β-D-glucopyranosyl)-E-caffeoyl]-β-D-glucopyranosyl}-5-O-β-D-glucopyranoside

Synonyms

LM ID

LMPK12010208

Formula

C₆₆H₆₉O₃₅

Exact Mass

Calculate m/z

1421.36195

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Ipomoea asarifolia (#89639)

Magnoliopsida (#3398)

Two triacylated and tetraglucosylated anthocyanins from Ipomoea asarifolia flowers,
Phytochemistry, 2003

DOI: 10.1016/j.phytochem.2003.08.011

String Representations

InChiKey (Click to copy)

KSAPUZOIPBGBPL-JVSNCBASSA-O

InChi (Click to copy)

InChI=1S/C66H68O35/c67-22-43-50(79)54(83)58(87)64(97-43)95-41-20-32(70)19-40-33(41)21-42(61(93-40)29-6-8-35(72)37(74)17-29)96-66-62(101-65-60(89)56(85)52(81)45(99-65)24-90-47(76)10-3-26-1-7-34(71)36(73)15-26)57(86)53(82)46(100-66)25-92-48(77)11-4-27-2-9-39(38(75)16-27)94-63-59(88)55(84)51(80)44(98-63)23-91-49(78)12-5-28-13-30(68)18-31(69)14-28/h1-21,43-46,50-60,62-67,79-89H,22-25H2,(H7-,68,69,70,71,72,73,74,75,76)/p+1/b11-4+,12-5+/t43-,44-,45-,46-,50-,51-,52-,53-,54+,55+,56+,57+,58-,59-,60-,62-,63-,64-,65+,66-/m1/s1

SMILES (Click to copy)

C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C(O)C=C2[O+]=C(C3C=C(O)C(O)=CC=3)C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5C=C(O)C(O)=CC=5)=O)O4)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C4C=C(O)C(O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C6C=C(O)C=C(O)C=6)=O)O5)=CC=4)=O)O3)=CC=12