Metabolite

KNApSAcK Entry

id C00002400
Name Lithospermic acid / Lithosperminc acid
CAS RN 28831-65-4
Standard InChI InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+/t20-,23?,24?/m1/s1
Standard InChI (Main Layer) InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)

Cluster

Phytochemical cluster
KCF-S cluster No. 494

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL518243

KEGG

By LinkDB C08745

CTD

By CAS RN C046833


Related Disease

Diseases related to CTD interactions

2 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D015210 C046833 Arthritis, Gouty therapeutic
18694741
D007249 C046833 Inflammation therapeutic
18694741