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calonectrin

MNXM120097 is deprecated and here replaced by MNXM727279
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM727279 Image of MNXM727279
referencechebi:157610
formulaC19H26O6
global charge0
mol weight350.411
InChIKeyIGDIDZAQDRAJRB-UPGMHYFXSA-N
InChIInChI=1S/C19H26O6/c1-11-5-6-18(9-22-12(2)20)15(7-11)25-16-14(24-13(3)21)8-17(18,4)19(16)10-23-19/h7,14-16H,5-6,8-10H2,1-4H3/t14-,15-,16-,17-,18-,19+/m1/s1
SMILESCC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@]12CO2
MNX internals
InChI (mnx)InChI=1/C19H26O6/c1-11-5-6-18(9-22-12(2)20)15(7-11)25-16-14(24-13(3)21)8-17(18,4)19(16)10-23-19/h7,14-16H,5-6,8-10H2,1-4H3/t14-,15-,16-,17-,18-,19+/m1/s1 Image of MNXM727279
SMILES (mnx)[CH3:1][C:11]1=[CH:7][C@@H:15]2[C@:18]([CH2:9][O:22][C:12]([CH3:2])=[O:20])([CH2:6][CH2:5]1)[C@@:17]1([CH3:4])[CH2:8][C@@H:14]([O:24][C:13]([CH3:3])=[O:21])[C@H:16]([C@@:19]13[CH2:10][O:23]3)[O:25]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:157610
chebi:157610
IGDIDZAQDRAJRB-UPGMHYFXSA-N 		calonectrin
hmdb:HMDB0034915
IGDIDZAQDRAJRB-UHFFFAOYSA-N 		Calonectrin
(+)-Calonectrin
(3-alpha)-12,13-Epoxytrichothec-9-ene-3,15-diol diacetate
10'-(acetyloxy)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-ylmethyl acetate
[10'-(Acetyloxy)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-yl]methyl acetic acid

hmdb:HMDB34915 		secondary/obsolete/fantasy identifier