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7,10-diketo-pre-bikaverin

PropertiesImage
MNX_IDMNXM164383 Image of MNXM164383
referencemetacycM:CPD-18213
formulaC18H8O7
global charge-2
mol weight336.255
InChIKeyPJMLGLUIIZSFMO-UHFFFAOYSA-L
InChIInChI=1S/C18H10O7/c1-6-2-7(19)3-11-13(6)17(23)15-12(25-11)4-8-14(18(15)24)9(20)5-10(21)16(8)22/h2-5,19,21,24H,1H3/p-2
SMILESCC1=CC([O-])=CC2=C1C(=O)C1=C(O)C3=C(C=C1O2)C(=O)C([O-])=CC3=O
MNX internals
InChI (mnx)InChI=1/C18H10O7/c1-6-2-7(19)3-11-13(6)17(23)15-12(25-11)4-8-14(18(15)24)9(20)5-10(21)16(8)22/h2-5,19,21,24H,1H3 Image of MNXM164383
SMILES (mnx)[CH3:1][C:6]1=[CH:2][C:7]([OH:19])=[CH:3][C:11]2=[C:13]1[C:17](=[O:23])[C:15]1=[C:12]([CH:4]=[C:8]3[C:14](=[C:18]1[OH:24])[C:9](=[O:20])[CH:5]=[C:10]([OH:21])[C:16]3=[O:22])[O:25]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-18213
metacycM:CPD-18213
seed.compound:cpd31524
seedM:cpd31524
PJMLGLUIIZSFMO-UHFFFAOYSA-L
7,10-diketo-pre-bikaverin

seedM:M_cpd31524
secondary/obsolete/fantasy identifier