PCIDB

KNApSAcK Metabolite C00000921

Metabolite

KNApSAcK Entry

id C00000921
Name Cryptoxanthin glucoside / Cryptoxanthin-beta-D-glucopyranoside
CAS RN 135589-15-0
Standard InChI InChI=1S/C46H66O6/c1-31(18-13-20-33(3)23-25-38-35(5)22-15-27-45(38,7)8)16-11-12-17-32(2)19-14-21-34(4)24-26-39-36(6)28-37(29-46(39,9)10)51-44-43(50)42(49)41(48)40(30-47)52-44/h11-14,16-21,23-26,37,40-44,47-50H,15,22,27-30H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,31-16+,32-17+,33-20+,34-21+/t37?,40?,41-,42+,43?,44-/m1/s1
Standard InChI (Main Layer) InChI=1S/C46H66O6/c1-31(18-13-20-33(3)23-25-38-35(5)22-15-27-45(38,7)8)16-11-12-17-32(2)19-14-21-34(4)24-26-39-36(6)28-37(29-46(39,9)10)51-44-43(50)42(49)41(48)40(30-47)52-44/h11-14,16-21,23-26,37,40-44,47-50H,15,22,27-30H2,1-10H3

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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