MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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totarol

	Properties	Image
MNX_ID	MNXM113629
reference	chebi:69241
formula	C₂₀H₃₀O
global charge	0
mol weight	286.459
InChIKey	ZRVDANDJSTYELM-FXAWDEMLSA-N
InChI	InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1
SMILES	CC(C)C1=C(O)C=CC2=C1CC[C@H]1C(C)(C)CCC[C@]21C

MNX internals

InChI (mnx)	InChI=1/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1
SMILES (mnx)	[CH3:1][CH:13]([CH3:2])[C:18]1=[C:16]([OH:21])[CH:9]=[CH:8][C:15]2=[C:14]1[CH2:7][CH2:10][C@H:17]1[C:19]([CH3:3])([CH3:4])[CH2:11][CH2:6][CH2:12][C@:20]21[CH3:5]

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
Identifier	Description
CHEBI:69241 chebi:69241 ZRVDANDJSTYELM-FXAWDEMLSA-N	totarol 14-Isopropylpodocarpa-8,11,13-trien-13-ol
lipidmaps:LMPR0104070001 lipidmapsM:LMPR0104070001 ZRVDANDJSTYELM-FXAWDEMLSA-N	(+)-Totarol (+)-8,11,13-totara-trien-13-ol
CHEBI:188167 chebi:188167 ZRVDANDJSTYELM-UHFFFAOYSA-N	(+)-Totarol 4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol