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

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Moracin O

	Properties	Image
MNX_ID	MNXM128166
reference	chebi:175160
formula	C₁₉H₁₈O₅
global charge	0
mol weight	326.348
InChIKey	HMTMYIWMPJSCAZ-UHFFFAOYSA-N
InChI	InChI=1S/C19H18O5/c1-19(2,22)18-7-11-3-10-6-15(23-16(10)9-17(11)24-18)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3
SMILES	CC(C)(O)C1CC2=C(C=C3OC(C4=CC(O)=CC(O)=C4)=CC3=C2)O1

MNX internals

InChI (mnx)	InChI=1/C19H18O5/c1-19(2,22)18-7-11-3-10-6-15(23-16(10)9-17(11)24-18)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3/t18?
SMILES (mnx)	[CH3:1][C:19]([CH3:2])([CH:18]1[CH2:7][C:11]2=[C:17]([CH:9]=[C:16]3[C:10](=[CH:3]2)[CH:6]=[C:15]([C:12]2=[CH:4][C:13]([OH:20])=[CH:8][C:14]([OH:21])=[CH:5]2)[O:23]3)[O:24]1)[OH:22]

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:175160 chebi:175160 HMTMYIWMPJSCAZ-UHFFFAOYSA-N	Moracin O 5-[6-(2-hydroxypropan-2-yl)-5,6-dihydrouro[3,2-][1]benzouran-2-yl]benzene-1,3-diol
hmdb:HMDB0040313 HMTMYIWMPJSCAZ-UHFFFAOYSA-N	Moracin O (+/-)-moracin O (-)-Moracin O 5-[11-(2-hydroxypropan-2-yl)-4,12-dioxatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,5,7-tetraen-5-yl]benzene-1,3-diol 5-[5,6-Dihydro-6-(1-hydroxy-1-methylethyl)benzo[1,2-b:5,4-b']difuran-2-yl]-1,3-benzenediol, 9ci
hmdb:HMDB40313	secondary/obsolete/fantasy identifier