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(2S)-bisdechlorogeodin

PropertiesImage
MNX_IDMNXM4171 Image of MNXM4171
referencechebi:15390
formulaC17H14O7
global charge0
mol weight330.292
InChIKeyJCMPRFCVZKOFIT-KRWDZBQOSA-N
InChIInChI=1S/C17H14O7/c1-8-4-11(19)14-12(5-8)24-17(15(14)20)10(16(21)23-3)6-9(18)7-13(17)22-2/h4-7,19H,1-3H3/t17-/m0/s1
SMILESCOC(=O)C1=CC(=O)C=C(OC)[C@@]12OC1=CC(C)=CC(O)=C1C2=O
MNX internals
InChI (mnx)InChI=1/C17H14O7/c1-8-4-11(19)14-12(5-8)24-17(15(14)20)10(16(21)23-3)6-9(18)7-13(17)22-2/h4-7,19H,1-3H3/t17-/m0/s1 Image of MNXM4171
SMILES (mnx)[CH3:1][C:8]1=[CH:4][C:11]([OH:19])=[C:14]2[C:12](=[CH:5]1)[O:24][C@:17]1([C:10]([C:16](=[O:21])[O:23][CH3:3])=[CH:6][C:9](=[O:18])[CH:7]=[C:13]1[O:22][CH3:2])[C:15]2=[O:20]
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

CHEBI:15390
chebi:15390
JCMPRFCVZKOFIT-KRWDZBQOSA-N 		(2S)-bisdechlorogeodin
(+)-Bisdechlorogeodin
(+)-bisdechlorogeodin
methyl (2S)-4-hydroxy-6-methyl-4'-oxo-3H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylate

kegg.compound:C03036
keggC:C03036
JCMPRFCVZKOFIT-KRWDZBQOSA-N 		(+)-Bisdechlorogeodin

seed.compound:cpd12242
seedM:cpd12242
JCMPRFCVZKOFIT-KRWDZBQOSA-N 		(+)-Bisdechlorogeodin
(+)-bisdechlorogeodin
methyl (2S)-4-hydroxy-6-methyl-4'-oxo-3H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylate

metacyc.compound:CPD-1901
metacycM:CPD-1901
JCMPRFCVZKOFIT-KRWDZBQOSA-N 		(+)-bisdechlorogeodin
methyl (2S)-4-hydroxy-6-methyl-4'-oxo-3H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylate

chebi:10754
chebi:12
chebi:18438
keggC:M_C03036
seedM:M_cpd12242 		secondary/obsolete/fantasy identifier