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

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Kanzonol I

	Properties	Image
MNX_ID	MNXM127065
reference	chebi:175520
formula	C₂₇H₃₂O₅
global charge	0
mol weight	436.548
InChIKey	RVKDAOFCDAPVGX-KRWDZBQOSA-N
InChI	InChI=1S/C27H32O5/c1-16(2)7-8-20-23(29-5)14-24-21(25(20)30-6)13-17(15-31-24)18-9-10-22(28)19-11-12-27(3,4)32-26(18)19/h7,9-12,14,17,28H,8,13,15H2,1-6H3/t17-/m0/s1
SMILES	COC1=CC2=C(C[C@H](C3=CC=C(O)C4=C3OC(C)(C)C=C4)CO2)C(OC)=C1CC=C(C)C

MNX internals

InChI (mnx)	InChI=1/C27H32O5/c1-16(2)7-8-20-23(29-5)14-24-21(25(20)30-6)13-17(15-31-24)18-9-10-22(28)19-11-12-27(3,4)32-26(18)19/h7,9-12,14,17,28H,8,13,15H2,1-6H3/t17-/m0/s1
SMILES (mnx)	[CH3:1][C:16]([CH3:2])=[CH:7][CH2:8][C:20]1=[C:25]([O:30][CH3:6])[C:21]2=[C:24]([CH:14]=[C:23]1[O:29][CH3:5])[O:31][CH2:15][C@@H:17]([C:18]1=[C:26]3[C:19](=[C:22]([OH:28])[CH:10]=[CH:9]1)[CH:11]=[CH:12][C:27]([CH3:3])([CH3:4])[O:32]3)[CH2:13]2

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175520 chebi:175520 RVKDAOFCDAPVGX-KRWDZBQOSA-N	Kanzonol I 8-[(3R)-5,7-dimethoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
hmdb:HMDB0040606 RVKDAOFCDAPVGX-UHFFFAOYSA-N	Kanzonol I (3R)-4'-Hydroxy-5,7-dimethoxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':2',3']isoflavan 8-[5,7-dimethoxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl]-2,2-dimethyl-2H-chromen-5-ol 8-[5,7-dimethoxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl]-2,2-dimethylchromen-5-ol
hmdb:HMDB40606	secondary/obsolete/fantasy identifier