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Isoachifolidiene

PropertiesImage
MNX_IDMNXM126771 Image of MNXM126771
referencechebi:174645
formulaC20H24O5
global charge0
mol weight344.407
InChIKeyITEVGBFEXWVGSM-UFMIZAGJSA-N
InChIInChI=1S/C20H24O5/c1-6-10(2)18(21)24-15-9-13-12(4)19(22)25-17(13)16-11(3)7-8-14(16)20(15,5)23/h6-8,13,15-17,23H,4,9H2,1-3,5H3/b10-6+/t13-,15+,16-,17-,20-/m0/s1
SMILESC=C1C(=O)O[C@@H]2[C@H]3C(C)=CC=C3[C@](C)(O)[C@H](OC(=O)/C(C)=C/C)C[C@@H]12
MNX internals
InChI (mnx)InChI=1/C20H24O5/c1-6-10(2)18(21)24-15-9-13-12(4)19(22)25-17(13)16-11(3)7-8-14(16)20(15,5)23/h6-8,13,15-17,23H,4,9H2,1-3,5H3/b10-6+/t13-,15+,16-,17-,20-/m0/s1 Image of MNXM126771
SMILES (mnx)[CH3:1]/[CH:6]=[C:10](\[CH3:2])[C:18](=[O:21])[O:24][C@@H:15]1[CH2:9][C@H:13]2[C:12](=[CH2:4])[C:19](=[O:22])[O:25][C@@H:17]2[C@H:16]2[C:11]([CH3:3])=[CH:7][CH:8]=[C:14]2[C@:20]1([CH3:5])[OH:23]
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:174645
chebi:174645
ITEVGBFEXWVGSM-UFMIZAGJSA-N 		Isoachifolidiene
[(3aS,5R,6S,9aS,9bS)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]uran-5-yl] (E)-2-methylbut-2-enoate
hmdb:HMDB0038690
ITEVGBFEXWVGSM-UXBLZVDNSA-N 		Isoachifolidiene
6-Hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2H,3H,3ah,4H,5H,6H,9ah,9BH-azuleno[4,5-b]furan-5-yl (2E)-2-methylbut-2-enoic acid
6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,6H,9aH,9bH-azuleno[4,5-b]furan-5-yl (2E)-2-methylbut-2-enoate
6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-5-yl (2E)-2-methylbut-2-enoate

hmdb:HMDB38690 		secondary/obsolete/fantasy identifier