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De-O-methyldihydrosterigmatocystin

Properties

Image

Occurences in reactions

MNX_ID

MNXM1366472

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

formula

C₁₇H₁₂O₆

charge

mass

312.277

reference

chebi:174245

InChIKey

WUSMTEDKVPWFDN-UHFFFAOYSA-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

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][CH:17]1[CH: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:174245 chebi:174245	De-O-methyldihydrosterigmatocystin 11,15-dihydroxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),10,14,16,18-hexaen-13-one
hmdb:HMDB0033658	De-O-methyldihydrosterigmatocystin 11,15-dihydroxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1(12),2(9),10,14,16,18-hexaen-13-one Demethyldihydrosterigmatocystin Dihydrodemethylsterigmatocystin
metacyc.compound:CPD-4586 metacycM:CPD-4586	dihydrodemethylsterigmatocystin
hmdb:HMDB33658	secondary/obsolete/fantasy identifier