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C30 botryococcene

MNXM16445 is deprecated and here replaced by MNXM730979
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM730979 Image of MNXM730979
referencechebi:70786
formulaC30H50
global charge0
mol weight410.73
InChIKeyLRCNPQXZCZKGDI-OFGMELEWSA-N
InChIInChI=1S/C30H50/c1-10-30(9,23-14-21-28(7)18-12-16-26(4)5)24-22-29(8)20-13-19-27(6)17-11-15-25(2)3/h10,15-16,19,21-22,24,29H,1,11-14,17-18,20,23H2,2-9H3/b24-22+,27-19+,28-21+/t29-,30-/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
MNX internals
InChI (mnx)InChI=1/C30H50/c1-10-30(9,23-14-21-28(7)18-12-16-26(4)5)24-22-29(8)20-13-19-27(6)17-11-15-25(2)3/h10,15-16,19,21-22,24,29H,1,11-14,17-18,20,23H2,2-9H3/b24-22+,27-19+,28-21+/t29-,30-/m1/s1 Image of MNXM730979
SMILES (mnx)[CH2:1]=[CH:10][C@:30]([CH3:9])([CH2:23][CH2:14]/[CH:21]=[C:28](\[CH3:7])[CH2:18][CH2:12][CH:16]=[C:26]([CH3:4])[CH3:5])/[CH:24]=[CH:22]/[C@H:29]([CH3:8])[CH2:20][CH2:13]/[CH:19]=[C:27](\[CH3:6])[CH2:17][CH2:11][CH:15]=[C:25]([CH3:2])[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:70786
chebi:70786
LRCNPQXZCZKGDI-OFGMELEWSA-N 		C30 botryococcene
(10S,13R)-10-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,5,11,16,20-pentaene
(10S,13R)-C30 botryococcene
(6E,10S,11E,13R,16E)-10-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,11,16,20-pentaene
(6E,10S,11E,13R,16E)-2,6,10,13,17,21-hexamethyl-10-vinyldocosa-2,6,11,16,20-pentaene

seed.compound:cpd31101
seedM:cpd31101
kegg.compound:C20432
keggC:C20432
LRCNPQXZCZKGDI-BWVPLTABSA-N 		C30 Botryococcene

metacyc.compound:CPD-10662
metacycM:CPD-10662
seed.compound:cpd22767
seedM:cpd22767
LRCNPQXZCZKGDI-FJQSZJNLSA-N 		C30 botryococcene

keggC:M_C20432
seedM:M_cpd22767
seedM:M_cpd31101 		secondary/obsolete/fantasy identifier