LIPID MAPS

Structure Database (LMSD)

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Common Name

Montbretin B

Systematic Name

Synonyms

LM ID

LMPK12112448

Formula

C₅₃H₆₄O₃₂

Exact Mass

Calculate m/z

1212.33808

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/

Crocosmia x crocosmiiflora (#1053288)

Magnoliopsida (#3398)

Acylated flavonols from Crocosmia crocosmiiflora,
Phytochemistry, 1988

DOI: 10.1016/0031-9422(88)80223-1

String Representations

InChiKey (Click to copy)

SMRICWFNTKFLCP-SEJYKFNZSA-N

InChi (Click to copy)

InChI=1S/C53H64O32/c1-16-31(61)37(67)42(72)50(76-16)80-28-15-75-49(41(71)35(28)65)82-45-23(58)9-19(10-24(45)59)44-46(36(66)30-22(57)11-21(56)12-25(30)78-44)83-52-47(39(69)32(62)17(2)77-52)85-53-48(84-51-43(73)38(68)33(63)26(13-54)79-51)40(70)34(64)27(81-53)14-74-29(60)8-5-18-3-6-20(55)7-4-18/h3-12,16-17,26-28,31-35,37-43,47-59,61-65,67-73H,13-15H2,1-2H3/b8-5+/t16-,17-,26+,27+,28+,31-,32-,33+,34+,35-,37+,38-,39+,40-,41+,42+,43+,47+,48+,49-,50-,51-,52-,53-/m0/s1

SMILES (Click to copy)

C1(O)=CC2OC(C3C=C(O)C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)CO4)=C(O)C=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5C=CC(O)=CC=5)=O)O4)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1