PCIDB

KNApSAcK Metabolite C00013290

Metabolite

KNApSAcK Entry

id C00013290
Name Theadibenzotropolone A
CAS RN 476645-32-6
Standard InChI InChI=1S/C50H38O21/c51-19-6-28(54)24-13-34(60)48(69-36(24)9-19)23-12-33(59)45(65)41-22(23)3-18(5-32(58)44(41)64)50(67)71-39-15-26-30(56)8-21(53)11-38(26)68-47(39)17-1-16-2-27(42(62)46(66)40(16)43(63)31(57)4-17)49-35(61)14-25-29(55)7-20(52)10-37(25)70-49/h1-12,34-35,39,47-49,51-56,59-62,65-66H,13-15H2,(H,57,63)(H,58,64)/t34-,35-,39-,47?,48?,49-/m1/s1
Standard InChI (Main Layer) InChI=1S/C50H38O21/c51-19-6-28(54)24-13-34(60)48(69-36(24)9-19)23-12-33(59)45(65)41-22(23)3-18(5-32(58)44(41)64)50(67)71-39-15-26-30(56)8-21(53)11-38(26)68-47(39)17-1-16-2-27(42(62)46(66)40(16)43(63)31(57)4-17)49-35(61)14-25-29(55)7-20(52)10-37(25)70-49/h1-12,34-35,39,47-49,51-56,59-62,65-66H,13-15H2,(H,57,63)(H,58,64)

Cluster

Phytochemical cluster
KCF-S cluster No. 6880

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Theaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Camellia sinensis 4442 Theaceae asterids Viridiplantae