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dihydrosterigmatocystin

Properties

Image

Occurences in reactions

MNX_ID

MNXM726842

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₁₈H₁₄O₆

charge

mass

326.304

reference

chebi:72677

InChIKey

RHGQIWVTIHZRLI-DCXZOGHSSA-N

InChI

InChI=1S/C18H14O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-4,7-8,18-19H,5-6H2,1H3/t8-,18+/m0/s1

SMILES

[CH3:1][O:21][c:11]1[cH:7][c:12]2[c:13]([c:17]3[c:15]1[c:16](=[O:20])[c:14]1[c:9]([OH:19])[cH:3][cH:2][cH:4][c:10]1[o:23]3)[C@@H:8]1[CH2:5][CH2:6][O:22][C@@H:18]1[O:24]2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:72677 chebi:72677	dihydrosterigmatocystin (3aR,12cS)-8-hydroxy-6-methoxy-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one 2',3'-dihydrosterigmatocystin 8-Hydroxy-6-methoxy-1,2,3aR,12cS-tetrahydro-7H-furo(3',2':4,5)furo(2,3-c)xanthen-7-one DHST
hmdb:HMDB0030590	Dihydrosterigmatocystin 1,2-Dihydro-6-methoxy-7-hydroxyfuroxanthone 15-hydroxy-11-methoxy-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 5-Hydroxydihydrosterigmatocystin
kegg.compound:C20445 keggC:C20445	Dihydrosterigmatocystin DHST
metacyc.compound:CPD-4587 metacycM:CPD-4587	dihydrosterigmatocystin
seed.compound:cpd24510 seedM:cpd24510	dihydrosterigmatocystin DHST Dihydrosterigmatocystin
hmdb:HMDB30590 keggC:M_C20445 seedM:M_cpd24510	secondary/obsolete/fantasy identifier