LIPID MAPS

Structure Database (LMSD)

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Common Name

Sutchuenoside A

Systematic Name

Synonyms

LM ID

LMPK12111901

Formula

C₂₉H₃₂O₁₅

Exact Mass

Calculate m/z

620.174126

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/

String Representations

InChiKey (Click to copy)

BNUCXCGZTSEDGK-PPGKSNAPSA-N

InChi (Click to copy)

InChI=1S/C29H32O15/c1-10-19(33)21(35)23(37)28(39-10)42-15-8-16(32)18-17(9-15)43-26(13-4-6-14(31)7-5-13)27(20(18)34)44-29-24(38)22(36)25(11(2)40-29)41-12(3)30/h4-11,19,21-25,28-29,31-33,35-38H,1-3H3/t10-,11-,19-,21+,22-,23+,24+,25-,28-,29-/m0/s1

SMILES (Click to copy)

C1(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](OC(=O)C)[C@H](C)O3)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID

FL5FAAGS0065

PubChem CID

10371677

Calculated Physicochemical Properties

Heavy Atoms 44

Rings 5

Aromatic Rings 3

Rotatable Bonds 7

Van der Waals Molecular Volume 523.85

Topological Polar Surface Area 239.18

Hydrogen Bond Donors 7

Hydrogen Bond Acceptors 15

logP 3.62

Molar Refractivity 151.99

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Created at

Updated at

9th Jan 2022