LIPID MAPS

Structure Database (LMSD)

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Systematic Name

Delphinidin 3-O-rutinoside-7,3'-di-O-(6-O-p-coumaroyl-β-D-glucopyranoside)

Synonyms

LM ID

LMPK12010339

Formula

C₅₇H₆₃O₃₀

Exact Mass

Calculate m/z

1227.340425

Status

Active

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/

Ceanothus papillosus (#73702)

Magnoliopsida (#3398)

Blue flower colour derived from flavonol-anthocyanin co-pigmentation in Ceanothus papillosus,
Phytochemistry, 1997

DOI: 10.1016/S0031-9422(97)00129-5

String Representations

InChiKey (Click to copy)

LLCPVXQJTMFEPT-ZIEPDYRZSA-O

InChi (Click to copy)

InChI=1S/C57H62O30/c1-22-40(64)45(69)49(73)54(80-22)79-21-37-44(68)48(72)52(76)57(87-37)84-34-18-29-30(60)16-28(81-55-50(74)46(70)42(66)35(85-55)19-77-38(62)12-6-23-2-8-26(58)9-3-23)17-32(29)82-53(34)25-14-31(61)41(65)33(15-25)83-56-51(75)47(71)43(67)36(86-56)20-78-39(63)13-7-24-4-10-27(59)11-5-24/h2-18,22,35-37,40,42-52,54-57,64,66-76H,19-21H2,1H3,(H4-,58,59,60,61,62,63,65)/p+1/t22-,35+,36+,37+,40-,42+,43+,44+,45+,46-,47-,48-,49+,50+,51+,52+,54+,55+,56+,57+/m0/s1

SMILES (Click to copy)

C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C3C=CC(O)=CC=3)=O)O2)=CC2[O+]=C(C3C=C(O)C(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5C=CC(O)=CC=5)=O)O4)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)=CC=2C(O)=C1