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norbikaverin

MNXM165023 is deprecated and here replaced by MNXM1368598
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368598 Image of MNXM1368598
referencemetacycM:CPD-18212
formulaC19H11O8
global charge-1
mol weight367.289
InChIKeyWHMNETKWDHZROP-UHFFFAOYSA-M
InChIInChI=1S/C19H12O8/c1-6-3-7(26-2)4-10-11(6)16(23)14-17(24)12-8(20)5-9(21)15(22)13(12)18(25)19(14)27-10/h3-5,21,24-25H,1-2H3/p-1
SMILESCOC1=CC2=C(C(=O)C3=C(O)C4=C(C(=O)C([O-])=CC4=O)C(O)=C3O2)C(C)=C1
MNX internals
InChI (mnx)InChI=1/C19H12O8/c1-6-3-7(26-2)4-10-11(6)16(23)14-17(24)12-8(20)5-9(21)15(22)13(12)18(25)19(14)27-10/h3-5,21,24-25H,1-2H3 Image of MNXM1368598
SMILES (mnx)[CH3:1][C:6]1=[CH:3][C:7]([O:26][CH3:2])=[CH:4][C:10]2=[C:11]1[C:16](=[O:23])[C:14]1=[C:17]([OH:24])[C:12]3=[C:13]([C:15](=[O:22])[C:9]([OH:21])=[CH:5][C:8]3=[O:20])[C:18]([OH:25])=[C:19]1[O:27]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-18212
metacycM:CPD-18212
WHMNETKWDHZROP-UHFFFAOYSA-M 		norbikaverin
6-hydroxy-7,10-diketo-3-O-methyl-pre-bikaverin