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3-methyl-1,2-didehydro-2,3-dihydrobotryococcene

MNXM164852 is deprecated and here replaced by MNXM1104157
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104157 Image of MNXM1104157
referencechebi:70863
formulaC31H52
global charge0
mol weight424.757
InChIKeyUJRFKENHJISTAF-KHZPPISQSA-N
InChIInChI=1S/C31H52/c1-11-31(10,23-14-19-28(7)20-21-30(9)26(4)5)24-22-29(8)18-13-17-27(6)16-12-15-25(2)3/h11,15,17,19,22,24,29-30H,1,4,12-14,16,18,20-21,23H2,2-3,5-10H3/b24-22+,27-17+,28-19+/t29-,30?,31-/m1/s1
SMILESC=C[C@@](C)(/C=C/[C@H](C)CC/C=C(\C)CCC=C(C)C)CC/C=C(\C)CCC(C)C(=C)C
MNX internals
InChI (mnx)InChI=1/C31H52/c1-11-31(10,23-14-19-28(7)20-21-30(9)26(4)5)24-22-29(8)18-13-17-27(6)16-12-15-25(2)3/h11,15,17,19,22,24,29-30H,1,4,12-14,16,18,20-21,23H2,2-3,5-10H3/b24-22+,27-17+,28-19+/t29-,30?,31-/m1/s1 Image of MNXM1104157
SMILES (mnx)[CH2:1]=[CH:11][C@:31]([CH3:10])([CH2:23][CH2:14]/[CH:19]=[C:28](\[CH3:7])[CH2:20][CH2:21][CH:30]([CH3:9])[C:26](=[CH2:4])[CH3:5])/[CH:24]=[CH:22]/[C@H:29]([CH3:8])[CH2:18][CH2:13]/[CH:17]=[C:27](\[CH3:6])[CH2:16][CH2:12][CH:15]=[C:25]([CH3:2])[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:70863
chebi:70863
UJRFKENHJISTAF-KHZPPISQSA-N 		3-methyl-1,2-didehydro-2,3-dihydrobotryococcene
(6E,10S,11E,13R,16E)-10-ethenyl-2,3,6,10,13,17,21-heptamethyldocosa-1,6,11,16,20-pentaene
(6E,10S,11E,13R,16E)-2,3,6,10,13,17,21-heptamethyl-10-vinyldocosa-1,6,11,16,20-pentaene
isoshowacene

seed.compound:cpd31103
seedM:cpd31103
kegg.compound:C20434
keggC:C20434
UJRFKENHJISTAF-HZJHGMKZSA-N
UJRFKENHJISTAF-NPFGDSAUSA-N 		20-Methyl-21,22-didehydro-20,21-dihydrobotryococcene
Isoshowacene

seed.compound:cpd32781
seedM:cpd32781
UJRFKENHJISTAF-NPFGDSAUSA-N 		20-methyl-21,22-didehydro-20,21-dihydrobotryococcene
isoshowacene

metacyc.compound:CPD-14792
metacycM:CPD-14792
UJRFKENHJISTAF-NPFGDSAUSA-N 		isoshowacene
20-methyl-21,22-didehydro-20,21-dihydrobotryococcene

keggC:M_C20434
seedM:M_cpd31103
seedM:M_cpd32781 		secondary/obsolete/fantasy identifier