PCIDB

KNApSAcK Metabolite C00017623

Metabolite

KNApSAcK Entry

id C00017623
Name PA 45052B / Dihydrobalhimycin / Chloroorienticin B / Antibiotic PA 45052B
CAS RN 118373-81-2
Standard InChI InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(56(40)101-65-54(86)53(85)52(84)42(22-78)99-65)98-39-11-8-27(15-33(39)68)55(100-44-21-66(4,70)57(87)24(3)96-44)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-55,57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24?,34-,35+,42?,44+,46-,47-,48+,49-,50+,51-,52-,53+,54?,55-,57+,65+,66+/m1/s1
Standard InChI (Main Layer) InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(56(40)101-65-54(86)53(85)52(84)42(22-78)99-65)98-39-11-8-27(15-33(39)68)55(100-44-21-66(4,70)57(87)24(3)96-44)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-55,57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)

Cluster

Phytochemical cluster
KCF-S cluster No. 263

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL407702 CHEMBL438738

KEGG

By LinkDB

CTD

By CAS RN C057894

Species

Summary

Plant class

class name count

Family

family name count
Pseudonocardiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Amycolatopsis orientalis PA-45052 1813 Pseudonocardiaceae Bacteria