PCIDB

KNApSAcK Metabolite C00022967

Metabolite

KNApSAcK Entry

id C00022967
Name beta,beta-Caroten-2-one
CAS RN 63596-38-3
Standard InChI InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-26-36-34(5)22-15-29-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-27-37-35(6)25-28-38(41)40(37,9)10/h11-14,16-21,23-24,26-27H,15,22,25,28-29H2,1-10H3/b12-11+,18-13+,19-14+,26-23+,27-24+,30-16+,31-17+,32-20+,33-21+
Standard InChI (Main Layer) InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-26-36-34(5)22-15-29-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-27-37-35(6)25-28-38(41)40(37,9)10/h11-14,16-21,23-24,26-27H,15,22,25,28-29H2,1-10H3

Cluster

Phytochemical cluster No. 59
KCF-S cluster No. 26

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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