PCIDB

KNApSAcK Metabolite C00015637

Metabolite

KNApSAcK Entry

id C00015637
Name Simocyclinone D4
CAS RN 301845-96-5
Standard InChI InChI=1S/C46H43NO18/c1-21-16-31(50)45(60)43(59,19-21)20-32(51)44-41(57)35-27(40(56)46(44,45)65-44)15-14-25(37(35)54)29-18-30(39(22(2)61-29)62-23(3)48)63-34(53)11-9-7-5-4-6-8-10-33(52)47-36-38(55)26-13-12-24(49)17-28(26)64-42(36)58/h4-17,22,29-30,32,39,41,49,51,54-55,57,59-60H,18-20H2,1-3H3,(H,47,52)/b6-4+,7-5+,10-8+,11-9+/t22-,29?,30-,32?,39-,41?,43?,44?,45?,46?/m1/s1
Standard InChI (Main Layer) InChI=1S/C46H43NO18/c1-21-16-31(50)45(60)43(59,19-21)20-32(51)44-41(57)35-27(40(56)46(44,45)65-44)15-14-25(37(35)54)29-18-30(39(22(2)61-29)62-23(3)48)63-34(53)11-9-7-5-4-6-8-10-33(52)47-36-38(55)26-13-12-24(49)17-28(26)64-42(36)58/h4-17,22,29-30,32,39,41,49,51,54-55,57,59-60H,18-20H2,1-3H3,(H,47,52)

Cluster

Phytochemical cluster
KCF-S cluster No. 5047

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Streptomycetaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Streptomyces antibioticus Tu 6040 1883 Streptomycetaceae Bacteria