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kahweol

PropertiesImage
MNX_IDMNXM127057 Image of MNXM127057
referencechebi:138308
formulaC20H26O3
global charge0
mol weight314.425
InChIKeyJEKMKNDURXDJAD-HWUKTEKMSA-N
InChIInChI=1S/C20H26O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h5-7,9,13,15,17,21-22H,2-4,8,10-12H2,1H3/t13-,15-,17+,18-,19+,20+/m1/s1
SMILESC[C@@]12C=CC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3
MNX internals
InChI (mnx)InChI=1/C20H26O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h5-7,9,13,15,17,21-22H,2-4,8,10-12H2,1H3/t13-,15-,17+,18-,19+,20+/m1/s1 Image of MNXM127057
SMILES (mnx)[CH3:1][C@@:18]12[CH:7]=[CH:5][C:16]3=[C:14]([CH:6]=[CH:9][O:23]3)[C@H:15]1[CH2:4][CH2:8][C@@:19]13[CH2:10][C@@H:13]([CH2:2][CH2:3][C@@H:17]21)[C@:20]([CH2:12][OH:21])([OH:22])[CH2:11]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:138308
chebi:138308
JEKMKNDURXDJAD-HWUKTEKMSA-N 		kahweol
(1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0(1,13).0(4,12).0(5,9)]nonadeca-5(9),6,10-trien-17-ol
(3bS,5aS,7R,8R,10aR,10bS)-7-(hydroxymethyl)-10b-methyl-3b,4,5,6,7,8,9,10,10a,10b-decahydro-5a,8-methanocyclohepta[5,6]naphtho[2,1-b]furan-7-ol
CCRIS 1521
CCRIS-1521

seed.compound:cpd32720
seedM:cpd32720
JEKMKNDURXDJAD-HWUKTEKMSA-N 		CCRIS 1521
kahweol
hmdb:HMDB0035602
JEKMKNDURXDJAD-UHFFFAOYSA-N 		Kahweol
(+)-(R)-Pulegone
(+)-4(8)-Para-menthen-3-one
(+)-Pulegone
(1R)-(+)-p-Menth-4(8)-en-3-one
(1R)-Pulegone
(5R)-2-Isopropylidene-5-methylcyclohexanone
(R)-(+)-Pulegone
(R)-(+)-p-Menth-4(8)-en-3-one
(R)-5-Methyl-2-(1-methylethylidene)cyclohexanone
(R)-Pulegone
(R)-p-Menth-4(8)-en-3-one
17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6,10-trien-17-ol
5-Methyl-2-(1-methylethylidene)cyclohexanone
D-Pulegone
FEMA 2963
Isopulegone
L-Pulegone
NSC 15334
Pulegon
Pulegone, (R)-isomer
Pulegone, (S)-isomer
cis-Isopulegone
p-Menth-4(8)-en-3-one

metacyc.compound:CPD-16468
metacycM:CPD-16468
JEKMKNDURXDJAD-HWUKTEKMSA-N 		kahweol
CCRIS 1521

hmdb:HMDB35602
seedM:M_cpd32720 		secondary/obsolete/fantasy identifier