**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

Feedback

dihydro-6-demethylsterigmatocystin

Properties

Image

Occurences in reactions

MNX_ID

MNXM1366473

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₇H₁₂O₆

charge

mass

312.277

reference

chebi:190744

InChIKey

WUSMTEDKVPWFDN-BWKAKNAASA-N

InChI

InChI=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

SMILES

[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:11]([cH:6][c:9]([OH:19])[c:14]1[c:15]2=[O:20])[O:23][C@@H:17]1[C@H:7]3[CH2:4][CH2:5][O:21]1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:190744 chebi:190744	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	Dihydrodemethylsterigmatocystin DHDMST
seed.compound:cpd24509 seedM:cpd24509	dihydrodemethylsterigmatocystin DHDMST Dihydrodemethylsterigmatocystin
keggC:M_C20444 seedM:M_cpd24509	secondary/obsolete/fantasy identifier