PCIDB

KNApSAcK Metabolite C00022931

Metabolite

KNApSAcK Entry

id C00022931
Name Aphanizophyll / 3',4'-Didehydro-1,2'-dihydro-1',3,4-trihydroxy-beta,epsilon-caroten-2-yl alpha-L-mannopyranoside
CAS RN 35930-16-6
Standard InChI InChI=1S/C46H66O8/c1-30(17-12-13-18-31(2)20-15-23-33(4)25-27-37-35(6)40(48)38(47)29-45(37,8)9)19-14-21-32(3)22-16-24-34(5)26-28-39(46(10,11)52)54-44-43(51)42(50)41(49)36(7)53-44/h12-28,36,38-44,47-52H,29H2,1-11H3/b13-12+,19-14+,20-15+,22-16+,27-25+,28-26+,30-17+,31-18+,32-21+,33-23+,34-24+/t36?,38?,39?,40?,41-,42?,43-,44-/m0/s1
Standard InChI (Main Layer) InChI=1S/C46H66O8/c1-30(17-12-13-18-31(2)20-15-23-33(4)25-27-37-35(6)40(48)38(47)29-45(37,8)9)19-14-21-32(3)22-16-24-34(5)26-28-39(46(10,11)52)54-44-43(51)42(50)41(49)36(7)53-44/h12-28,36,38-44,47-52H,29H2,1-11H3

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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