Search MNXref
 Feedback

alantolactone

PropertiesImage
MNX_IDMNXM40511 Image of MNXM40511
referencechebi:2540
formulaC15H20O2
global charge0
mol weight232.323
InChIKeyPXOYOCNNSUAQNS-AGNJHWRGSA-N
InChIInChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1
SMILESC=C1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[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/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1 Image of MNXM40511
SMILES (mnx)[CH3:1][C@H:9]1[CH2:5][CH2:4][CH2:6][C@:15]2([CH3:3])[CH2:8][C@@H:13]3[C@H:11]([CH:7]=[C:12]12)[C:10](=[CH2:2])[C:14](=[O:16])[O:17]3
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:2540
chebi:2540
PXOYOCNNSUAQNS-AGNJHWRGSA-N 		alantolactone
(3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Alant camphor
Alantolactone
Elecampane camphor
Eupatal
Helenine
Inula camphor

CHEBI:177830
chebi:177830
PXOYOCNNSUAQNS-UHFFFAOYSA-N 		(+)-Alantolactone
5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[][1]benzouran-2-one

seed.compound:cpd06184
seedM:cpd06184
kegg.compound:C09289
keggC:C09289
PXOYOCNNSUAQNS-AGNJHWRGSA-N 		Alantolactone
hmdb:HMDB0035906
PXOYOCNNSUAQNS-UHFFFAOYSA-N 		Alantolactone
(+)-Alantolactone
5,8a-dimethyl-3-methylidene-2H,3H,3aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one
Alant camphor
Alantic anhydride
Elecampane camphor
Eupatal
Helenin
Helenine
Helenine?
Inula camphor
alantolactone

lipidmaps:LMPR0103190013
lipidmapsM:LMPR0103190013
PXOYOCNNSUAQNS-AGNJHWRGSA-N 		alantolactone
(3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Alantolactone
Eupatal
Helenin

hmdb:HMDB35906
keggC:M_C09289
seedM:M_cpd06184 		secondary/obsolete/fantasy identifier