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

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macarangin

	Properties	Image
MNX_ID	MNXM102085
reference	chebi:70022
formula	C₂₅H₂₆O₆
global charge	0
mol weight	422.477
InChIKey	MBIJQAHZUBUPNM-VIZOYTHASA-N
InChI	InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-12-18-19(27)13-20-21(22(18)28)23(29)24(30)25(31-20)16-8-10-17(26)11-9-16/h5,7-11,13,26-28,30H,4,6,12H2,1-3H3/b15-7+
SMILES	CC(C)=CCC/C(C)=C/CC1=C(O)C2=C(C=C1O)OC(C1=CC=C(O)C=C1)=C(O)C2=O

MNX internals

InChI (mnx)	InChI=1/C25H26O6/c1-14(2)5-4-6-15(3)7-12-18-19(27)13-20-21(22(18)28)23(29)24(30)25(31-20)16-8-10-17(26)11-9-16/h5,7-11,13,26-28,30H,4,6,12H2,1-3H3/b15-7+
SMILES (mnx)	[CH3:1][C:14]([CH3:2])=[CH:5][CH2:4][CH2:6]/[C:15]([CH3:3])=[CH:7]/[CH2:12][C:18]1=[C:22]([OH:28])[C:21]2=[C:20]([CH:13]=[C:19]1[OH:27])[O:31][C:25]([C:16]1=[CH:9][CH:11]=[C:17]([OH:26])[CH:10]=[CH:8]1)=[C:24]([OH:30])[C:23]2=[O:29]

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:70022 chebi:70022 MBIJQAHZUBUPNM-VIZOYTHASA-N	macarangin 6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
lipidmaps:LMPK12111980 lipidmapsM:LMPK12111980 MBIJQAHZUBUPNM-VIZOYTHASA-N	Macarangin