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1-deoxycapsidiol

PropertiesImage
MNX_IDMNXM9611 Image of MNXM9611
referencechebi:72638
formulaC15H24O
global charge0
mol weight220.356
InChIKeyTWGYXCCDWSORFO-QHSBEEBCSA-N
InChIInChI=1S/C15H24O/c1-10(2)12-5-6-13-7-8-14(16)11(3)15(13,4)9-12/h6,11-12,14,16H,1,5,7-9H2,2-4H3/t11-,12-,14-,15-/m1/s1
SMILESC=C(C)[C@@H]1CC=C2CC[C@@H](O)[C@@H](C)[C@@]2(C)C1
MNX internals
InChI (mnx)InChI=1/C15H24O/c1-10(2)12-5-6-13-7-8-14(16)11(3)15(13,4)9-12/h6,11-12,14,16H,1,5,7-9H2,2-4H3/t11-,12-,14-,15-/m1/s1 Image of MNXM9611
SMILES (mnx)[CH2:1]=[C:10]([CH3:2])[C@@H:12]1[CH2:5][CH:6]=[C:13]2[CH2:7][CH2:8][C@@H:14]([OH:16])[C@@H:11]([CH3:3])[C@@:15]2([CH3:4])[CH2:9]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:72638
chebi:72638
TWGYXCCDWSORFO-QHSBEEBCSA-N 		1-deoxycapsidiol
(+)-1-deoxycapsidiol
(1S,2R,7R,8aR)-1,8a-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-ol
3alpha,4betaH-eremophila-9,11-diene-3-ol
3alpha-hydroxy-5-epiaristolochene
epiaristolochen-3alpha-ol

seed.compound:cpd24530
seedM:cpd24530
TWGYXCCDWSORFO-QHSBEEBCSA-N 		1-deoxy-capsidiol
1-deoxycapsidiol
3alpha-hydroxy-5-epiaristolochene
3alpha-hydroxyepiaristolochene

metacyc.compound:CPD-4662
metacycM:CPD-4662
TWGYXCCDWSORFO-QHSBEEBCSA-N 		1-deoxycapsidiol
3alpha-hydroxy-5-epiaristolochene
3alpha-hydroxyepiaristolochene

sabiork.compound:21135
sabiorkM:21135 		3-alpha-Hydroxy-5-epiaristolochene

seedM:M_cpd24530 		secondary/obsolete/fantasy identifier