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

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friedelin

	Properties	Image
MNX_ID	MNXM5162
reference	chebi:5171
formula	C₃₀H₅₀O
global charge	0
mol weight	426.729
InChIKey	OFMXGFHWLZPCFL-SVRPQWSVSA-N
InChI	InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1
SMILES	C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C

MNX internals

InChI (mnx)	InChI=1/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1
SMILES (mnx)	[CH3:1][C@H:20]1[C:21](=[O:31])[CH2:9][CH2:10][C@@H:22]2[C@:27]1([CH3:5])[CH2:12][CH2:11][C@H:23]1[C@@:28]2([CH3:6])[CH2:16][CH2:18][C@@:30]2([CH3:8])[C@@H:24]3[CH2:19][C:25]([CH3:2])([CH3:3])[CH2:13][CH2:14][C@:26]3([CH3:4])[CH2:15][CH2:17][C@:29]12[CH3:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:5171 chebi:5171 OFMXGFHWLZPCFL-SVRPQWSVSA-N	friedelin (-)-friedelin (4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS)-4,4a,6b,8a,11,11,12b,14a-octamethylicosahydropicen-3(2H)-one D:A-friedooleanan-3-one friedelan-3-one friedeline
kegg.compound:C08626 keggC:C08626 OFMXGFHWLZPCFL-SVRPQWSVSA-N	Friedelin
seed.compound:cpd05533 seedM:cpd05533 OFMXGFHWLZPCFL-SVRPQWSVSA-N	Friedelin friedelin
metacyc.compound:CPD-13047 metacycM:CPD-13047 OFMXGFHWLZPCFL-SVRPQWSVSA-N	friedelin
keggC:M_C08626 seedM:M_cpd05533	secondary/obsolete/fantasy identifier