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Cochliomycin A, (rel)-

Properties

Image

Occurences in reactions

MNX_ID

MNXM103965

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₂H₂₈O₇

charge

mass

404.1835

reference

chebi:67865

InChIKey

JMSMAQNHTBWNAJ-PRPVSCSDSA-N

InChI

InChI=1S/C22H28O7/c1-13-7-5-10-18-20(29-22(2,3)28-18)16(23)9-6-8-14-11-15(26-4)12-17(24)19(14)21(25)27-13/h5-6,8,10-13,16,18,20,23-24H,7,9H2,1-4H3/b8-6+,10-5+/t13-,16-,18-,20-/m0/s1

SMILES

COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@@H]1OC(C)(C)O[C@H]1/C=C/C[C@H](C)OC2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:67865 chebi:67865	Cochliomycin A, (rel)- rel-(3aS,4E,7S,14E,17S,17aS)-10,17-Dihydroxy-12-methoxy-2,2,7-trimethyl-3a,6,7,16,17,17a-hexahydro-9H-[1,3]dioxolo[4,5-g][2]benzoxacyclotetradecin-9-one