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12alpha,13alpha-dihydroxyfumitremorgin C

MNXM116146 is deprecated and replaced by MNXM1100355

Properties

Image

Occurences in reactions

MNX_ID

MNXM1100355

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	2

formula

C₂₂H₂₅N₃O₅

charge

mass

411.17942

reference

chebi:72764

InChIKey

CPHRCQUGNAGVIB-FWJAZRMLSA-N

InChI

InChI=1S/C22H25N3O5/c1-11(2)9-16-18-17(13-7-6-12(30-3)10-14(13)23-18)19(26)22(29)21(28)24-8-4-5-15(24)20(27)25(16)22/h6-7,9-10,15-16,19,23,26,29H,4-5,8H2,1-3H3/t15-,16-,19-,22+/m0/s1

SMILES

COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=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:72764 chebi:72764	12alpha,13alpha-dihydroxyfumitremorgin C (5aR,6S,12S,14aS)-5a,6-dihydroxy-9-methoxy-12-(2-methylprop-1-en-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione 12,13-dihydroxyfumitremorgin C
kegg.compound:C20605 keggC:C20605	12alpha,13alpha-Dihydroxyfumitremorgin C 12,13-Dihydroxyfumitremorgin C
seed.compound:cpd31224 seedM:cpd31224	12alpha,13alpha-Dihydroxyfumitremorgin C 12,13-Dihydroxyfumitremorgin C 12alpha,13alpha-dihydroxyfumitremorgin C lanosulin
metacyc.compound:CPD-15268 metacycM:CPD-15268	12alpha,13alpha-dihydroxyfumitremorgin C lanosulin
keggC:M_C20605 seedM:M_cpd31224	secondary/obsolete/fantasy identifier