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(13S)-edaxadiene

PropertiesImage
MNX_IDMNXM5355 Image of MNXM5355
referencechebi:63180
formulaC20H34O
global charge0
mol weight290.491
InChIKeyTXBORCBWDUAHAC-JQERWDHBSA-N
InChIInChI=1S/C20H34O/c1-7-19(5,21)13-14-20(6)15(2)10-11-16-17(20)9-8-12-18(16,3)4/h7,11,15,17,21H,1,8-10,12-14H2,2-6H3/t15-,17+,19+,20+/m0/s1
SMILESC=C[C@@](C)(O)CC[C@@]1(C)[C@@H]2CCCC(C)(C)C2=CC[C@@H]1C
MNX internals
InChI (mnx)InChI=1/C20H34O/c1-7-19(5,21)13-14-20(6)15(2)10-11-16-17(20)9-8-12-18(16,3)4/h7,11,15,17,21H,1,8-10,12-14H2,2-6H3/t15-,17+,19+,20+/m0/s1 Image of MNXM5355
SMILES (mnx)[CH2:1]=[CH:7][C@:19]([CH3:5])([CH2:13][CH2:14][C@:20]1([CH3:6])[C@@H:15]([CH3:2])[CH2:10][CH:11]=[C:16]2[C@H:17]1[CH2:9][CH2:8][CH2:12][C:18]2([CH3:3])[CH3:4])[OH:21]
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:63180
chebi:63180
TXBORCBWDUAHAC-JQERWDHBSA-N 		(13S)-edaxadiene
(13S)-isotuberculosinol
(13S)-nosyberkol
(3S)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-1-en-3-ol

kegg.compound:C19964
keggC:C19964
TXBORCBWDUAHAC-JQERWDHBSA-N 		(13S)-Isotuberculosinol

seed.compound:cpd21203
seedM:cpd21203
TXBORCBWDUAHAC-JQERWDHBSA-N 		(13S)-Isotuberculosinol
(13S)-edaxadiene
(13S)-isotuberculosinol
(13S)-nosyberkol
nosyberkol

SLM:000390234
slm:000390234
TXBORCBWDUAHAC-JQERWDHBSA-N 		(13S)-edaxadiene

metacyc.compound:CPD-13850
metacycM:CPD-13850
TXBORCBWDUAHAC-JQERWDHBSA-N 		(13S)-isotuberculosinol
(13S)-edaxadiene
(13S)-nosyberkol

keggC:M_C19964
seedM:M_cpd21203 		secondary/obsolete/fantasy identifier