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capsidiol

MNXM2810 is deprecated and here replaced by MNXM733415
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM733415 Image of MNXM733415
referencechebi:28283
formulaC15H24O2
global charge0
mol weight236.355
InChIKeyBXXSHQYDJWZXPB-OKNSCYNVSA-N
InChIInChI=1S/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h6,10-11,13-14,16-17H,1,5,7-8H2,2-4H3/t10-,11-,13-,14-,15-/m1/s1
SMILESC=C(C)[C@@H]1CC=C2[C@H](O)C[C@@H](O)[C@@H](C)[C@@]2(C)C1
MNX internals
InChI (mnx)InChI=1/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h6,10-11,13-14,16-17H,1,5,7-8H2,2-4H3/t10-,11-,13-,14-,15-/m1/s1 Image of MNXM733415
SMILES (mnx)[CH2:1]=[C:9]([CH3:2])[C@@H:11]1[CH2:5][CH:6]=[C:12]2[C@H:14]([OH:17])[CH2:7][C@@H:13]([OH:16])[C@@H:10]([CH3:3])[C@@:15]2([CH3:4])[CH2:8]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28283
chebi:28283
BXXSHQYDJWZXPB-OKNSCYNVSA-N 		capsidiol
(1R,3R,4S,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol
(1R,3R,4S,4aR,6R)-6-isopropenyl-4,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol
1beta,3alpha,4betaH-eremophila-9,11-diene-1,3-diol
Capsidiol

sabiork.compound:11716
sabiorkM:11716
kegg.compound:C09627
keggC:C09627
BXXSHQYDJWZXPB-OKNSCYNVSA-N 		Capsidiol
hmdb:HMDB0002352
BXXSHQYDJWZXPB-OKNSCYNVSA-N 		Capsidiol
(1R,3R,4S,4AR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene-1,3-diol
(1R,3R,4S,4AR,6R)-6-isopropenyl-4,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol
(1R,3R,4S,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol
capsidiol

seed.compound:cpd06521
seedM:cpd06521
BXXSHQYDJWZXPB-OKNSCYNVSA-N 		Capsidiol
capsidiol

metacyc.compound:CPD-4661
metacycM:CPD-4661
BXXSHQYDJWZXPB-OKNSCYNVSA-N 		capsidiol

lipidmaps:LMPR0103250002
lipidmapsM:LMPR0103250002
BXXSHQYDJWZXPB-OKNSCYNVSA-N 		capsidiol
(1R,3R,4S,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol 1beta,3alpha,4betaH-eremophila-9,11-diene-1,3-diol
(1R,3R,4S,4aR,6R)-6-isopropenyl-4,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol
Capsidiol

hmdb:HMDB02352
chebi:23001
chebi:3377
keggC:M_C09627
seedM:M_cpd06521 		secondary/obsolete/fantasy identifier