MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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tephrosin

	Properties	Image
MNX_ID	MNXM22006
reference	chebi:9442
formula	C₂₃H₂₂O₇
global charge	0
mol weight	410.422
InChIKey	AQBZCCQCDWNNJQ-AUSIDOKSSA-N
InChI	InChI=1S/C23H22O7/c1-22(2)8-7-12-15(30-22)6-5-13-20(12)29-19-11-28-16-10-18(27-4)17(26-3)9-14(16)23(19,25)21(13)24/h5-10,19,25H,11H2,1-4H3/t19-,23-/m1/s1
SMILES	COC1=CC2=C(C=C1OC)[C@]1(O)C(=O)C3=CC=C4OC(C)(C)C=CC4=C3O[C@@H]1CO2

MNX internals

InChI (mnx)	InChI=1/C23H22O7/c1-22(2)8-7-12-15(30-22)6-5-13-20(12)29-19-11-28-16-10-18(27-4)17(26-3)9-14(16)23(19,25)21(13)24/h5-10,19,25H,11H2,1-4H3/t19-,23-/m1/s1
SMILES (mnx)	[CH3:1][C:22]1([CH3:2])[CH:8]=[CH:7][C:12]2=[C:15]([CH:6]=[CH:5][C:13]3=[C:20]2[O:29][C@@H:19]2[CH2:11][O:28][C:16]4=[CH:10][C:18]([O:27][CH3:4])=[C:17]([O:26][CH3:3])[CH:9]=[C:14]4[C@:23]2([OH:25])[C:21]3=[O:24])[O:30]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:9442 chebi:9442 AQBZCCQCDWNNJQ-AUSIDOKSSA-N	tephrosin (7aR,13aR)-13,13a-dihydro-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-3H-bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(7aH)-one (7aR,13aR)-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one Tephrosin deguelinol I hydroxydeguelin
kegg.compound:C10535 keggC:C10535 lipidmaps:LMPK12060047 lipidmapsM:LMPK12060047 AQBZCCQCDWNNJQ-AUSIDOKSSA-N	Tephrosin
seed.compound:cpd07421 seedM:cpd07421 AQBZCCQCDWNNJQ-AUSIDOKSSA-N	Tephrosin 3H-[1]benzopyrano[3,4-b]pyrano[2,3-h][1]benzopyran-7(7aH)-one, 13,13a-dihydro-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-, (7aR,13aR)- 7a-hydroxy-9,10-dimethoxy-1,1-dimethyl-13,13a-dihydro-1H,7aH-pyrano[2,3-c,6,5-f']dichromen-7-one deguelinol I hydroxydeguelin tephrosin
metacyc.compound:CPD-12165 metacycM:CPD-12165 AQBZCCQCDWNNJQ-AUSIDOKSSA-N	tephrosin (7aR,13aR)-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one deguelinol I hydroxydeguelin
chebi:68052 keggC:M_C10535 seedM:M_cpd07421	secondary/obsolete/fantasy identifier