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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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isotanshinone IIB
Properties
Image
Occurences in reactions
MNX_ID
MNXM105844
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
19
H
18
O
4
charge
0
mass
310.12051
reference
chebi:66098
InChIKey
VIDDDTBBUDIKKK-UHFFFAOYSA-N
InChI
InChI=1S/C19H18O4/c1-10-8-23-18-14(10)16(21)12-5-6-13-11(15(12)17(18)22)4-3-7-19(13,2)9-20/h5-6,8,20H,3-4,7,9H2,1-2H3
SMILES
Cc1coc2c1C(=O)c1ccc3c(c1C2=O)CCCC3(C)CO
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:66098
chebi:66098
isotanshinone IIB
4-(hydroxymethyl)-4,8-dimethyl-1,2,3,4-tetrahydrophenanthro[3,2-b]furan-7,11-dione