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Diplodiatoxin

PropertiesImage
MNX_IDMNXM125037 Image of MNXM125037
referencechebi:174949
formulaC18H28O4
global charge0
mol weight308.418
InChIKeySFTQDPVLDKOILY-CSVHMLKNSA-N
InChIInChI=1S/C18H28O4/c1-10-7-11(2)15-13(8-10)9-12(3)16(17(21)22)18(15,4)14(20)5-6-19/h9-11,13,15-16,19H,5-8H2,1-4H3,(H,21,22)/t10?,11?,13-,15?,16-,18-/m0/s1
SMILESCC1=C[C@@H]2CC(C)CC(C)C2[C@](C)(C(=O)CCO)[C@@H]1C(=O)O
MNX internals
InChI (mnx)InChI=1/C18H28O4/c1-10-7-11(2)15-13(8-10)9-12(3)16(17(21)22)18(15,4)14(20)5-6-19/h9-11,13,15-16,19H,5-8H2,1-4H3,(H,21,22)/t10?,11?,13-,15?,16-,18-/m0/s1 Image of MNXM125037
SMILES (mnx)[CH3:1][CH:10]1[CH2:7][CH:11]([CH3:2])[CH:15]2[C@@H:13]([CH2:8]1)[CH:9]=[C:12]([CH3:3])[C@@H:16]([C:17](=[O:21])[OH:22])[C@@:18]2([CH3:4])[C:14]([CH2:5][CH2:6][OH:19])=[O:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:174949
chebi:174949
SFTQDPVLDKOILY-CSVHMLKNSA-N 		Diplodiatoxin
(1S,2R,4aS)-1-(3-hydroxypropanoyl)-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-2-carboxylic acid
1-(3-hydroxypropanoyl)-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-2-carboxylic acid
hmdb:HMDB0031471
SFTQDPVLDKOILY-UHFFFAOYSA-N 		Diplodiatoxin
1,2,4a,5,6,7,8,8a-Octahydro-1-(3-hydroxy-1-oxopropyl)-1,3,6,8-tetramethyl-2-naphthalenecarboxylic acid, 9ci
1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylate
1-(3-hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid
1-(3-hydroxypropanoyl)-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-2-carboxylic acid

hmdb:HMDB31471 		secondary/obsolete/fantasy identifier