LIPID MAPS

Structure Database (LMSD)

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Common Name

Montbretin A

Systematic Name

Synonyms

LM ID

LMPK12112449

Formula

C₅₃H₆₄O₃₃

Exact Mass

Calculate m/z

1228.332995

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)

FHVDXUPJFGRQLV-OWPXYNISSA-N

InChi (Click to copy)

InChI=1S/C53H64O33/c1-15-31(62)37(68)42(73)50(77-15)81-28-14-76-49(41(72)35(28)66)83-45-23(59)8-18(9-24(45)60)44-46(36(67)30-22(58)10-19(55)11-25(30)79-44)84-52-47(39(70)32(63)16(2)78-52)86-53-48(85-51-43(74)38(69)33(64)26(12-54)80-51)40(71)34(65)27(82-53)13-75-29(61)6-4-17-3-5-20(56)21(57)7-17/h3-11,15-16,26-28,31-35,37-43,47-60,62-66,68-74H,12-14H2,1-2H3/b6-4+/t15-,16-,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=C(O)C(O)=CC=5)=O)O4)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1