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stemar-13-ene

PropertiesImage
MNX_IDMNXM5300 Image of MNXM5300
referencechebi:50069
formulaC20H32
global charge0
mol weight272.476
InChIKeyMCRAOCBPZAIHJQ-QBYKVAOYSA-N
InChIInChI=1S/C20H32/c1-14-12-16-6-7-17-18(2,3)9-5-10-19(17,4)20(16)11-8-15(14)13-20/h12,15-17H,5-11,13H2,1-4H3/t15-,16+,17+,19+,20-/m1/s1
SMILESCC1=C[C@@H]2CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@]23CC[C@@H]1C3
MNX internals
InChI (mnx)InChI=1/C20H32/c1-14-12-16-6-7-17-18(2,3)9-5-10-19(17,4)20(16)11-8-15(14)13-20/h12,15-17H,5-11,13H2,1-4H3/t15-,16+,17+,19+,20-/m1/s1 Image of MNXM5300
SMILES (mnx)[CH3:1][C:14]1=[CH:12][C@@H:16]2[CH2:6][CH2:7][C@H:17]3[C:18]([CH3:2])([CH3:3])[CH2:9][CH2:5][CH2:10][C@:19]3([CH3:4])[C@@:20]23[CH2:11][CH2:8][C@@H:15]1[CH2:13]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:50069
chebi:50069
lipidmaps:LMPR0104030008
lipidmapsM:LMPR0104030008
MCRAOCBPZAIHJQ-QBYKVAOYSA-N 		stemar-13-ene
(4aS,6aS,9R,11aR,11bS)-4,4,8,11b-tetramethyl-1,2,3,4,4a,5,6,6a,9,10,11,11b-dodecahydro-9,11a-methanocyclohepta[a]naphthalene

kegg.compound:C18223
keggC:C18223
MCRAOCBPZAIHJQ-QBYKVAOYSA-N 		Stemar-13-ene
hmdb:HMDB0301828
MCRAOCBPZAIHJQ-QBYKVAOYSA-N 		Stemar-13-ene
(1R,2S,7S,10S,13R)-2,6,6,12-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0²,⁷]hexadec-11-ene
stemar-13-ene

seed.compound:cpd19491
seedM:cpd19491
MCRAOCBPZAIHJQ-QBYKVAOYSA-N 		Stemar-13-ene
stemar-13-ene

metacyc.compound:CPD-4752
metacycM:CPD-4752
MCRAOCBPZAIHJQ-QBYKVAOYSA-N 		stemar-13-ene

keggC:M_C18223
seedM:M_cpd19491 		secondary/obsolete/fantasy identifier