Metabolite

KNApSAcK Entry

id C00029557
Name 5beta,19-Epoxy-19-methoxycucurbita-6,23-diene-3beta,25-diol / 19(R)-Methoxy-5beta,19-epoxycucurbita-6,23-dien-3beta,25-diol / 5beta,19-Epoxy-19-methoxycucurbita-6,23(E)-diene-3beta,25-diol
CAS RN 332950-28-4
Standard InChI InChI=1S/C31H50O4/c1-20(10-9-15-26(2,3)33)21-13-16-29(7)22-14-17-31-23(11-12-24(32)27(31,4)5)30(22,25(34-8)35-31)19-18-28(21,29)6/h9,14-15,17,20-25,32-33H,10-13,16,18-19H2,1-8H3/b15-9+/t20-,21-,22+,23+,24+,25-,28-,29+,30?,31-/m1/s1
Standard InChI (Main Layer) InChI=1S/C31H50O4/c1-20(10-9-15-26(2,3)33)21-13-16-29(7)22-14-17-31-23(11-12-24(32)27(31,4)5)30(22,25(34-8)35-31)19-18-28(21,29)6/h9,14-15,17,20-25,32-33H,10-13,16,18-19H2,1-8H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1478

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL252510

KEGG

By LinkDB

CTD

By CAS RN