Feedback

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

MNXM165153 is deprecated and here replaced by MNXM1104157
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104157

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₃₁H₅₂

charge

mass

424.4069

reference

chebi:70863

InChIKey

UJRFKENHJISTAF-KHZPPISQSA-N

InChI

InChI=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

SMILES

C=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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:70863 chebi:70863	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	20-Methyl-21,22-didehydro-20,21-dihydrobotryococcene Isoshowacene
seed.compound:cpd32781 seedM:cpd32781	20-methyl-21,22-didehydro-20,21-dihydrobotryococcene isoshowacene
metacyc.compound:CPD-14792 metacycM:CPD-14792	isoshowacene 20-methyl-21,22-didehydro-20,21-dihydrobotryococcene
keggC:M_C20434 seedM:M_cpd31103 seedM:M_cpd32781	secondary/obsolete/fantasy identifier