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1-Hydroxyacoronene

PropertiesImage
MNX_IDMNXM115949 Image of MNXM115949
referencechebi:228319
formulaC15H22O3
global charge0
mol weight250.338
InChIKeyPUPNOMJEHZIMFF-TUKIKUTGSA-N
InChIInChI=1S/C15H22O3/c1-9(2)15(18)13(17)7-11(4)14(15)6-5-10(3)12(16)8-14/h5,9,11,18H,6-8H2,1-4H3/t11-,14-,15+/m0/s1
SMILESCC1=CC[C@]2(CC1=O)[C@@H](C)CC(=O)[C@]2(O)C(C)C
MNX internals
InChI (mnx)InChI=1/C15H22O3/c1-9(2)15(18)13(17)7-11(4)14(15)6-5-10(3)12(16)8-14/h5,9,11,18H,6-8H2,1-4H3/t11-,14-,15+/m0/s1 Image of MNXM115949
SMILES (mnx)[CH3:1][CH:9]([CH3:2])[C@@:15]1([OH:18])[C:13](=[O:17])[CH2:7][C@H:11]([CH3:4])[C@@:14]12[CH2:6][CH:5]=[C:10]([CH3:3])[C:12](=[O:16])[CH2:8]2
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:228319
chebi:228319
PUPNOMJEHZIMFF-TUKIKUTGSA-N 		1-Hydroxyacoronene
(1S,4S,5S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione
hmdb:HMDB0030917
PUPNOMJEHZIMFF-UHFFFAOYSA-N 		1-Hydroxyacorenone
1-hydroxy-1-isopropyl-4,8-dimethylspiro[4.5]dec-8-ene-2,7-dione
1-hydroxy-4,8-dimethyl-1-(propan-2-yl)spiro[4.5]dec-8-ene-2,7-dione

CHEBI:168222
chebi:168222
PUPNOMJEHZIMFF-UHFFFAOYSA-N 		1-Hydroxyacorenone
4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione

hmdb:HMDB30917 		secondary/obsolete/fantasy identifier