LIPID MAPS

Structure Database (LMSD)

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Common Name

delta,delta-Bi-O-garcinoic acid

Systematic Name

Synonyms

LM ID

LMPR02020071

Formula

C₅₄H₇₄O₈

Exact Mass

Calculate m/z

850.53837

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

TTXVKRPIKWUXMT-FDVAQWHMSA-N

InChi (Click to copy)

InChI=1S/C54H74O8/c1-36(21-13-25-40(5)51(56)57)17-11-19-38(3)23-15-29-53(9)31-27-44-35-45(33-42(7)48(44)61-53)60-50-46-28-32-54(10,62-49(46)43(8)34-47(50)55)30-16-24-39(4)20-12-18-37(2)22-14-26-41(6)52(58)59/h17-18,23-26,33-35,55H,11-16,19-22,27-32H2,1-10H3,(H,56,57)(H,58,59)/b36-17+,37-18+,38-23+,39-24+,40-25+,41-26+/t53-,54-/m1/s1

SMILES (Click to copy)

C1(OC2=CC(=C3O[C@@](C)(CCC3=C2)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C(O)=O)\C)C)C(=CC(=C2O[C@@](C)(CCC=12)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C(O)=O)\C)C)O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Garcinia kola (#469930)

Magnoliopsida (#3398)

Garcinoic Acids and a Benzophenone Derivative from the Seeds of Garcinia kola and Their Antibacterial Activities against Oral Bacterial Pathogenic Organisms.,
J Nat Prod, 2020

Pubmed ID: 32644811