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

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saintopin

	Properties	Image
MNX_ID	MNXM160963
reference	chebi:91276
formula	C₁₈H₁₀O₇
global charge	0
mol weight	338.271
InChIKey	CGFVUVWMYIHGHS-UHFFFAOYSA-N
InChI	InChI=1S/C18H10O7/c19-7-1-6-2-9-15(17(24)13(6)11(21)4-7)18(25)14-10(16(9)23)3-8(20)5-12(14)22/h1-5,19-22,24H
SMILES	O=C1C2=CC3=C(C(O)=CC(O)=C3)C(O)=C2C(=O)C2=C1C=C(O)C=C2O

MNX internals

InChI (mnx)	InChI=1/C18H10O7/c19-7-1-6-2-9-15(17(24)13(6)11(21)4-7)18(25)14-10(16(9)23)3-8(20)5-12(14)22/h1-5,19-22,24H
SMILES (mnx)	[CH:1]1=[C:6]2[CH:2]=[C:9]3[C:15](=[C:17]([OH:24])[C:13]2=[C:11]([OH:21])[CH:4]=[C:7]1[OH:19])[C:18](=[O:25])[C:14]1=[C:12]([OH:22])[CH:5]=[C:8]([OH:20])[CH:3]=[C:10]1[C:16]3=[O:23]

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:91276 chebi:91276 CGFVUVWMYIHGHS-UHFFFAOYSA-N	saintopin 1,3,8,10,11-pentahydroxy-5,12-naphthacenedione 1,3,8,10,11-pentahydroxytetracene-5,12-dione
metacyc.compound:CPD-16687 metacycM:CPD-16687 seed.compound:cpd35387 seedM:cpd35387 CGFVUVWMYIHGHS-UHFFFAOYSA-M CGFVUVWMYIHGHS-UHFFFAOYSA-N	saintopin
seedM:M_cpd35387	secondary/obsolete/fantasy identifier