LIPID MAPS

Structure Database (LMSD)

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Common Name

Nympholide A

Systematic Name

(2S,7S,8S,9S,10R,11S)-2-(4-Hydroxyphenyl)-8,9,10,14,15,19,24-heptahydroxy-5,12,26-trioxapentacyclo[16.6.2.17,11.113,17.021,25]octacosane-1(25),13(27),14,16,18,21,23-heptene-4,20-dione

Synonyms

LM ID

LMPK12112431

Formula

C₃₀H₂₆O₁₅

Exact Mass

Calculate m/z

626.127176

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Nymphaea lotus (#264924)

Magnoliopsida (#3398)

Two very unusual macrocyclic flavonoids from the water lily Nymphaea lotus,
Phytochemistry, 2003

DOI: 10.1016/S0031-9422(03)00238-3

String Representations

InChiKey (Click to copy)

GZTPVMNTZSEVRQ-VDCUAPMMSA-N

InChi (Click to copy)

InChI=1S/C30H26O15/c31-12-3-1-10(2-4-12)13-7-19(35)42-9-18-23(37)25(39)27(41)30(44-18)43-17-6-11(5-16(34)22(17)36)28-26(40)24(38)21-15(33)8-14(32)20(13)29(21)45-28/h1-6,8,13,18,23,25,27,30-34,36-37,39-41H,7,9H2/t13-,18+,23+,25-,27+,30+/m0/s1

SMILES (Click to copy)

C1(O)C=C(O)C2[C@@](C3C=CC(O)=CC=3)([H])CC(OC[C@H]3O[C@@H](OC4=CC(=CC(O)=C4O)C4OC=2C=1C(=O)C=4O)[C@@H]([C@H]([C@@H]3O)O)O)=O