PCIDB

KNApSAcK Metabolite C00029825

Metabolite

KNApSAcK Entry

id C00029825
Name Bianthrone 1a
CAS RN 849180-65-0
Standard InChI InChI=1S/C50H54O8/c1-25(2)11-9-13-27(5)15-17-31-37(51)23-35-41(33-19-29(7)21-39(53)43(33)49(57)45(35)47(31)55)42-34-20-30(8)22-40(54)44(34)50(58)46-36(42)24-38(52)32(48(46)56)18-16-28(6)14-10-12-26(3)4/h11-12,15-16,19-24,41-42,51-56H,9-10,13-14,17-18H2,1-8H3/b27-15+,28-16+/t41-,42+
Standard InChI (Main Layer) InChI=1S/C50H54O8/c1-25(2)11-9-13-27(5)15-17-31-37(51)23-35-41(33-19-29(7)21-39(53)43(33)49(57)45(35)47(31)55)42-34-20-30(8)22-40(54)44(34)50(58)46-36(42)24-38(52)32(48(46)56)18-16-28(6)14-10-12-26(3)4/h11-12,15-16,19-24,41-42,51-56H,9-10,13-14,17-18H2,1-8H3

Cluster

Phytochemical cluster
KCF-S cluster No. 3170

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Hypericaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Psorospermum glaberrimum 999533 Hypericaceae rosids Viridiplantae