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trichodermin

MNXM87843 is deprecated and here replaced by MNXM740969
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM740969 Image of MNXM740969
referencechebi:9688
formulaC17H24O4
global charge0
mol weight292.375
InChIKeyHNEGCRMUYSKRRR-NWHWRWDZSA-N
InChIInChI=1S/C17H24O4/c1-10-5-6-15(3)12(7-10)21-14-8-13(20-11(2)18)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@H]2O[C@@H]3C=C(C)CC[C@]3(C)[C@]1(C)[C@@]21CO1
MNX internals
InChI (mnx)InChI=1/C17H24O4/c1-10-5-6-15(3)12(7-10)21-14-8-13(20-11(2)18)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 MNXM740969
SMILES (mnx)[CH3:1][C:10]1=[CH:7][C@@H:12]2[C@:15]([CH3:3])([CH2:6][CH2:5]1)[C@@:16]1([CH3:4])[C@H:13]([O:20][C:11]([CH3:2])=[O:18])[CH2:8][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:9688
chebi:9688
HNEGCRMUYSKRRR-NWHWRWDZSA-N 		trichodermin
(4beta,12R)-12,13-epoxytrichothec-9-en-4-yl acetate
12,13-Epoxytrichothec-9-en-4-ol acetate

seed.compound:cpd06633
seedM:cpd06633
kegg.compound:C09741
keggC:C09741
HNEGCRMUYSKRRR-NWHWRWDZSA-N 		Trichodermin
hmdb:HMDB0259176
HNEGCRMUYSKRRR-UHFFFAOYSA-N 		Trichoderonin
1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl acetate
Trichodermol

chebi:552470
keggC:M_C09741
seedM:M_cpd06633 		secondary/obsolete/fantasy identifier