LIPID MAPS

Structure Database (LMSD)

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Common Name

Genameside B

Systematic Name

Synonyms

LM ID

LMPR0102070062

Formula

C₁₇H₂₆O₁₂

Exact Mass

Calculate m/z

422.14243

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Genipa americana (#58486)

Magnoliopsida (#3398)

Iridoid glucosides from the fruit of Genipa americana.,
Chem Pharm Bull (Tokyo), 2005

Pubmed ID: 16204999

String Representations

InChiKey (Click to copy)

DPORNVNPTRLCKZ-RWTMYMGSSA-N

InChi (Click to copy)

InChI=1S/C17H26O12/c1-26-14(24)7-4-27-15(10-6(7)2-9(20)17(10,25)5-19)29-16-13(23)12(22)11(21)8(3-18)28-16/h4,6,8-13,15-16,18-23,25H,2-3,5H2,1H3/t6-,8-,9+,10-,11-,12+,13-,15+,16+,17-/m1/s1

SMILES (Click to copy)

[C@@]12([H])[C@](O)([C@@H](O)C[C@]1([H])C(C(=O)OC)=CO[C@H]2O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)CO

Other Databases

PubChem CID

11495491

Calculated Physicochemical Properties

Heavy Atoms 29

Rings 3

Aromatic Rings 0

Rotatable Bonds 6

Van der Waals Molecular Volume 365.78

Topological Polar Surface Area 199.74

Hydrogen Bond Donors 7

Hydrogen Bond Acceptors 12

logP -1.20

Molar Refractivity 94.54

Admin

Created at

25th Jul 2023

Updated at