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isotrichodermin

MNXM126976 is deprecated and here replaced by MNXM727689
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM727689 Image of MNXM727689
referencechebi:157608
formulaC17H24O4
global charge0
mol weight292.375
InChIKeyOZXJPPYWZVBMGW-IKIFYQGPSA-N
InChIInChI=1S/C17H24O4/c1-10-5-6-15(3)13(7-10)21-14-12(20-11(2)18)8-16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3/t12-,13-,14-,15+,16-,17+/m1/s1
SMILESCC(=O)O[C@@H]1C[C@]2(C)[C@@]3(C)CCC(C)=C[C@H]3O[C@H]1[C@@]21CO1
MNX internals
InChI (mnx)InChI=1/C17H24O4/c1-10-5-6-15(3)13(7-10)21-14-12(20-11(2)18)8-16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3/t12-,13-,14-,15+,16-,17+/m1/s1 Image of MNXM727689
SMILES (mnx)[CH3:1][C:10]1=[CH:7][C@@H:13]2[C@:15]([CH3:3])([CH2:6][CH2:5]1)[C@@:16]1([CH3:4])[CH2:8][C@@H:12]([O:20][C:11]([CH3:2])=[O:18])[C@H:14]([C@@:17]13[CH2:9][O:19]3)[O:21]2
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:157608
chebi:157608
OZXJPPYWZVBMGW-IKIFYQGPSA-N 		isotrichodermin
hmdb:HMDB0034738
OZXJPPYWZVBMGW-UHFFFAOYSA-N 		Isotrichodermin
1',2',5'-Trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-yl acetic acid
1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-yl acetate
12,13-Epoxy-acetate(3alpha)-tichothec-9-en-3-ol
12,13-Epoxy-trichothec-9-ene-3-ol acetate

hmdb:HMDB34738 		secondary/obsolete/fantasy identifier