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Alloalantolactone

PropertiesImage
MNX_IDMNXM118935 Image of MNXM118935
referencechebi:192145
formulaC15H20O2
global charge0
mol weight232.323
InChIKeyOTDVFDVEFZSECW-UXIGCNINSA-N
InChIInChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11,13H,2,4-8H2,1,3H3/t11-,13-,15-/m1/s1
SMILESC=C1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@H]12
MNX internals
InChI (mnx)InChI=1/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11,13H,2,4-8H2,1,3H3/t11-,13-,15-/m1/s1 Image of MNXM118935
SMILES (mnx)[CH3:1][C:9]1=[C:12]2[CH2:7][C@@H:11]3[C:10](=[CH2:2])[C:14](=[O:16])[O:17][C@@H:13]3[CH2:8][C@@:15]2([CH3:3])[CH2:6][CH2:4][CH2:5]1
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:192145
chebi:192145
OTDVFDVEFZSECW-UXIGCNINSA-N 		Alloalantolactone
(3aR,8aR,9aR)-5,8a-dimethyl-3-methylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[][1]benzouran-2-one
hmdb:HMDB0036119
OTDVFDVEFZSECW-UHFFFAOYSA-N 		Alloalantolactone
1-Deoxyivangustin
5,8a-dimethyl-3-methylidene-2H,3H,3aH,4H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one
5,8a-dimethyl-3-methylidene-3aH,4H,6H,7H,8H,9H,9aH-naphtho[2,3-b]furan-2-one
[3AR-(3aalpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one

hmdb:HMDB36119 		secondary/obsolete/fantasy identifier