PCIDB

KNApSAcK Metabolite C00021224

Metabolite

KNApSAcK Entry

id C00021224
Name Betunal / (+)-Betunal / Betulinaldehyde
CAS RN 13159-28-9
Standard InChI InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 23

Link

ChEMBL

By standard InChI CHEMBL512622
By standard InChI Main Layer CHEMBL512622 CHEMBL476675

KEGG

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CTD

By CAS RN