PCIDB

KNApSAcK Metabolite C00022992

Metabolite

KNApSAcK Entry

id C00022992
Name Myxobactone / 3',4'-Didehydro-1'-(beta-D-glucopyranosyloxy)-1',2'-dihydro-beta,psi-caroten-4-one
CAS RN 31679-77-3
Standard InChI InChI=1S/C46H64O7/c1-32(17-11-12-18-33(2)20-15-24-36(5)26-27-38-37(6)39(48)28-30-45(38,7)8)19-13-21-34(3)22-14-23-35(4)25-16-29-46(9,10)53-44-43(51)42(50)41(49)40(31-47)52-44/h11-27,40-44,47,49-51H,28-31H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,25-16+,27-26+,32-17+,33-18+,34-21+,35-23+,36-24+/t40?,41-,42+,43?,44+/m1/s1
Standard InChI (Main Layer) InChI=1S/C46H64O7/c1-32(17-11-12-18-33(2)20-15-24-36(5)26-27-38-37(6)39(48)28-30-45(38,7)8)19-13-21-34(3)22-14-23-35(4)25-16-29-46(9,10)53-44-43(51)42(50)41(49)40(31-47)52-44/h11-27,40-44,47,49-51H,28-31H2,1-10H3

Cluster

Phytochemical cluster
KCF-S cluster No. 394

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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