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

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Aflatoxin G2

MNXM15766 is deprecated and here replaced by MNXM729851
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM729851
reference	chebi:80705
formula	C₁₇H₁₄O₇
global charge	0
mol weight	330.292
InChIKey	WPCVRWVBBXIRMA-WNWIJWBNSA-N
InChI	InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1
SMILES	COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C2C(=C1)O[C@H]1OCC[C@@H]21

MNX internals

InChI (mnx)	InChI=1/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1
SMILES (mnx)	[CH3:1][O:20][C:9]1=[C:11]2[C:7]3=[C:13]([C:15](=[O:18])[O:21][CH2:4][CH2:2]3)[C:16](=[O:19])[O:24][C:14]2=[C:12]2[C@@H:8]3[CH2:3][CH2:5][O:22][C@@H:17]3[O:23][C:10]2=[CH:6]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:80705 chebi:80705 kegg.compound:C16754 keggC:C16754 WPCVRWVBBXIRMA-WNWIJWBNSA-N	Aflatoxin G2
hmdb:HMDB0030475 WPCVRWVBBXIRMA-WNWIJWBNSA-N	Aflatoxin G2 11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹³,¹⁸]icosa-1(12),2(9),10,13(18)-tetraene-17,19-dione Dihydroaflatoxin g1 aflatoxin G2
seed.compound:cpd16551 seedM:cpd16551 WPCVRWVBBXIRMA-WNWIJWBNSA-N	Aflatoxin G2 aflatoxin G2 dihydroaflatoxin G1
metacyc.compound:CPD-10179 metacycM:CPD-10179 WPCVRWVBBXIRMA-WNWIJWBNSA-N	aflatoxin G2 dihydroaflatoxin G1
hmdb:HMDB30475 keggC:M_C16754 seedM:M_cpd16551	secondary/obsolete/fantasy identifier