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

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Artonin E

	Properties	Image
MNX_ID	MNXM42737
reference	lipidmapsM:LMPK12110925
formula	C₂₅H₂₄O₇
global charge	0
mol weight	436.46
InChIKey	HDHRTQZSBFUBMJ-UHFFFAOYSA-N
InChI	InChI=1S/C25H24O7/c1-12(2)5-6-14-22(30)21-19(29)11-20-13(7-8-25(3,4)32-20)24(21)31-23(14)15-9-17(27)18(28)10-16(15)26/h5,7-11,26-29H,6H2,1-4H3
SMILES	CC(C)=CCC1=C(C2=C(O)C=C(O)C(O)=C2)OC2=C3C=CC(C)(C)OC3=CC(O)=C2C1=O

MNX internals

InChI (mnx)	InChI=1/C25H24O7/c1-12(2)5-6-14-22(30)21-19(29)11-20-13(7-8-25(3,4)32-20)24(21)31-23(14)15-9-17(27)18(28)10-16(15)26/h5,7-11,26-29H,6H2,1-4H3
SMILES (mnx)	[CH3:1][C:12]([CH3:2])=[CH:5][CH2:6][C:14]1=[C:23]([C:15]2=[CH:9][C:17]([OH:27])=[C:18]([OH:28])[CH:10]=[C:16]2[OH:26])[O:31][C:24]2=[C:21]([C:19]([OH:29])=[CH:11][C:20]3=[C:13]2[CH:7]=[CH:8][C:25]([CH3:3])([CH3:4])[O:32]3)[C:22]1=[O:30]

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
lipidmaps:LMPK12110925 lipidmapsM:LMPK12110925 HDHRTQZSBFUBMJ-UHFFFAOYSA-N	Artonin E
hmdb:HMDB0035186 HDHRTQZSBFUBMJ-UHFFFAOYSA-N	Artonin E 5'-Hydroxymorusin 5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)-2-(2,4,5-trihydroxyphenyl)-4H,8H-pyrano[2,3-h]chromen-4-one KB 3 artonin E
hmdb:HMDB35186	secondary/obsolete/fantasy identifier