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dihydro-6-demethylsterigmatocystin

PropertiesImage
MNX_IDMNXM11375 Image of MNXM11375
referencechebi:190744
formulaC17H12O6
global charge0
mol weight312.277
InChIKeyWUSMTEDKVPWFDN-BWKAKNAASA-N
InChIInChI=1S/C17H12O6/c18-8-2-1-3-10-13(8)15(20)14-9(19)6-11-12(16(14)22-10)7-4-5-21-17(7)23-11/h1-3,6-7,17-19H,4-5H2/t7-,17+/m0/s1
SMILESO=C1C2=C(C=CC=C2O)OC2=C1C(O)=CC1=C2[C@@H]2CCO[C@@H]2O1
MNX internals
InChI (mnx)InChI=1/C17H12O6/c18-8-2-1-3-10-13(8)15(20)14-9(19)6-11-12(16(14)22-10)7-4-5-21-17(7)23-11/h1-3,6-7,17-19H,4-5H2/t7-,17+/m0/s1 Image of MNXM11375
SMILES (mnx)[CH:1]1=[CH:2][C:8]([OH:18])=[C:13]2[C:10](=[CH:3]1)[O:22][C:16]1=[C:12]3[C@@H:7]4[CH2:4][CH2:5][O:21][C@@H:17]4[O:23][C:11]3=[CH:6][C:9]([OH:19])=[C:14]1[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:190744
chebi:190744
WUSMTEDKVPWFDN-BWKAKNAASA-N 		dihydro-6-demethylsterigmatocystin
(3S,7R)-11,15-dihydroxy-6,8,20-trioxapentacyclo[10.8.0.0(2,9).0(3,7).0(14,19)]icosa-1(12),2(9),10,14,16,18-hexaen-13-one
(3aR,12cS)-1,2,3a,12c-tetrahydro-6,8-dihydroxy-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one
(3aR,12cS)-6,8-dihydroxy-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one
DHDMST
demethyldihydrosterigmatocystin
dihydrodemethylsterigmatocystin

kegg.compound:C20444
keggC:C20444
WUSMTEDKVPWFDN-BWKAKNAASA-N 		Dihydrodemethylsterigmatocystin
DHDMST

metacyc.compound:CPD-4586
metacycM:CPD-4586
WUSMTEDKVPWFDN-BWKAKNAASA-N 		dihydrodemethylsterigmatocystin

seed.compound:cpd24509
seedM:cpd24509
WUSMTEDKVPWFDN-BWKAKNAASA-N 		dihydrodemethylsterigmatocystin
DHDMST
Dihydrodemethylsterigmatocystin

keggC:M_C20444
seedM:M_cpd24509 		secondary/obsolete/fantasy identifier