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verruculogen

Properties

Image

Occurences in reactions

MNX_ID

MNXM88821

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	1

formula

C₂₇H₃₃N₃O₇

charge

mass

511.23185

reference

chebi:72765

InChIKey

LRXYHMMJJCTUMY-GWXUGYLUSA-N

InChI

InChI=1S/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3/t17-,19-,20+,23-,27+/m0/s1

SMILES

COc1ccc2c3c4n(c2c1)[C@@H](C=C(C)C)OOC(C)(C)C[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:72765 chebi:72765	verruculogen (5R,10S,10aR,14aS,15bS)-10,10a-dihydroxy-6-methoxy-2,2-dimethyl-5-(2-methylprop-1-en-1-yl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione TR 1 TR 1 toxin
kegg.compound:C20045 keggC:C20045	Verruculogen TR 1 TR 1 toxin
seed.compound:cpd21284 seedM:cpd21284	Verruculogen TR 1 TR 1 toxin verruculogen
metacyc.compound:CPD-15259 metacycM:CPD-15259	verruculogen
keggC:M_C20045 seedM:M_cpd21284	secondary/obsolete/fantasy identifier