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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]1[CH2:2][CH2:3][C:4]([CH3:11])([CH3:12])[C:5]2=[CH:8][CH2:9][C@H:10]([CH3:19])[C@@:7]([CH2:13][CH2:15][C@:16]([CH:17]=[CH2:18])([CH3:20])[OH:21])([CH3:14])[C@H:6]12
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