Search MNXref
 Feedback

Candol B

MNXM2118 is deprecated and here replaced by MNXM1105759
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1105759 Image of MNXM1105759
referencehmdb:HMDB0036727
formulaC20H32O
global charge0
mol weight288.475
InChIKeyTUJQVRFWMWRMIO-DAUOMPHXSA-N
InChIInChI=1S/C20H32O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h15-17,21H,1,4-13H2,2-3H3/t15-,16-,17+,18-,19-,20-/m1/s1
SMILESC=C1C[C@@]23CC[C@@H]4[C@@](C)(CO)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3
MNX internals
InChI (mnx)InChI=1/C20H32O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h15-17,21H,1,4-13H2,2-3H3/t15-,16-,17+,18-,19-,20-/m1/s1 Image of MNXM1105759
SMILES (mnx)[CH2:1]=[C:14]1[CH2:11][C@@:20]23[CH2:10][CH2:7][C@@H:16]4[C@@:18]([CH3:2])([CH2:13][OH:21])[CH2:8][CH2:4][CH2:9][C@@:19]4([CH3:3])[C@@H:17]2[CH2:6][CH2:5][C@@H:15]1[CH2:12]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
hmdb:HMDB0036727
TUJQVRFWMWRMIO-DAUOMPHXSA-N 		Candol B
(-)-Kaur-16-en-19-ol
(4beta)-Kaur-16-en-18-ol
(4beta)-kaur-16-en-18-ol
16-Kauren-18-ol
4beta-Kaur-16-en-19-ol
4beta-kaur-16-en-19-ol
Kaur-16-en-19-ol
[(1S,4S,5S,9S,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-5-yl]methanol
ent-18-Hydroxykaur-16-ene
ent-Kaur-16-en-19-ol

hmdb:HMDB36727 		secondary/obsolete/fantasy identifier