Search MNXref
 Feedback

5(1->10)-Abeo-1,12-patchoulanediol

PropertiesImage
MNX_IDMNXM118071 Image of MNXM118071
referencehmdb:HMDB0037284
formulaC15H26O2
global charge0
mol weight238.371
InChIKeyRTSORXBIZDRAMP-MUGBGTHKSA-N
InChIInChI=1S/C15H26O2/c1-13(2)11-5-6-14(3)12(8-11)10(9-16)4-7-15(13,14)17/h10-12,16-17H,4-9H2,1-3H3/t10-,11-,12+,14+,15+/m1/s1
SMILESCC1(C)[C@@H]2CC[C@@]3(C)[C@@H](C2)[C@@H](CO)CC[C@]13O
MNX internals
InChI (mnx)InChI=1/C15H26O2/c1-13(2)11-5-6-14(3)12(8-11)10(9-16)4-7-15(13,14)17/h10-12,16-17H,4-9H2,1-3H3/t10-,11-,12+,14+,15+/m1/s1 Image of MNXM118071
SMILES (mnx)[CH3:1][C:13]1([CH3:2])[C@@H:11]2[CH2:5][CH2:6][C@@:14]3([CH3:3])[C@@H:12]([CH2:8]2)[C@@H:10]([CH2:9][OH:16])[CH2:4][CH2:7][C@:15]13[OH:17]
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:HMDB0037284
RTSORXBIZDRAMP-MUGBGTHKSA-N 		5(1->10)-Abeo-1,12-patchoulanediol
(1R,3S,6S,7S,8S)-6-(hydroxymethyl)-2,2,8-trimethyltricyclo[5.3.1.0³,⁸]undecan-3-ol

CHEBI:184182
chebi:184182
RTSORXBIZDRAMP-ZGVRZNAHSA-N 		5(1->10)-Abeo-1,12-patchoulanediol
(1R,6S,7S,8S)-6-(hydroxymethyl)-2,2,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol

hmdb:HMDB37284 		secondary/obsolete/fantasy identifier