coumermycin (CHEBI:756256)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:756256 - coumermycin

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:756256
ChEBI Name	coumermycin
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C55H59N5O20
Net Charge	0
Average Mass	1110.092
Monoisotopic Mass	1109.37534
SMILES	CO[C@@H]1[C@@H](OC(=O)c2ccc(C)n2)[C@@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4cnc(C(=O)Nc5c(O)c6ccc(O[C@H]7OC(C)(C)[C@H](OC)[C@@H](OC(=O)c8ccc(C)n8)[C@H]7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C
InChI	InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52+,53+/m1/s1
InChIKey	WTIJXIZOODAMJT-WBACWINTSA-N

ChEBI Ontology

Outgoing Relation(s)
	coumermycin (CHEBI:756256) is a coumarins (CHEBI:23403)
	coumermycin (CHEBI:756256) is a glycoside (CHEBI:24400)

INN	Source
coumamycin	WHO MedNet

Synonym	Source
NSC-107412	ChEMBL

Citations