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cycloeucalenone

MNXM11229 is deprecated and here replaced by MNXM726768
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM726768 Image of MNXM726768
referencechebi:142915
formulaC30H48O
global charge0
mol weight424.713
InChIKeyNFRXSIOHGADFRG-MEMZBLDGSA-N
InChIInChI=1S/C30H48O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-24,26H,3,8-18H2,1-2,4-7H3/t21-,22+,23-,24+,26+,27-,28+,29-,30+/m1/s1
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C
MNX internals
InChI (mnx)InChI=1/C30H48O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-24,26H,3,8-18H2,1-2,4-7H3/t21-,22+,23-,24+,26+,27-,28+,29-,30+/m1/s1 Image of MNXM726768
SMILES (mnx)[CH3:1][CH:19]([CH3:2])[C:20](=[CH2:3])[CH2:8][CH2:9][C@@H:21]([CH3:4])[C@H:23]1[CH2:12][CH2:14][C@@:28]2([CH3:7])[C@@H:26]3[CH2:11][CH2:10][C@H:24]4[C@H:22]([CH3:5])[C:25](=[O:31])[CH2:13][CH2:15][C@@:29]45[CH2:18][C@@:30]35[CH2:17][CH2:16][C@:27]12[CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:142915
chebi:142915
NFRXSIOHGADFRG-MEMZBLDGSA-N 		cycloeucalenone
(4alpha,5alpha,9beta)-4,14-dimethyl-9,19-cycloergost-24(28)-en-3-one
4alpha,14-dimethyl-9beta,19-cyclo-5alpha-ergost-24(28)-en-3-one

seed.compound:cpd23618
seedM:cpd23618
NFRXSIOHGADFRG-MEMZBLDGSA-N 		3H,19H-cyclopropa[9,10]cyclopenta[a]phenanthrene
4alpha,14alpha-dimethyl-9beta,19-cyclo-ergost-24(241)-en-3-one
9,19-cyclo-5alpha,9beta-ergost-24(28)-en-3-one
cycloeucalenone

kegg.compound:C22121
keggC:C22121
NFRXSIOHGADFRG-MEMZBLDGSA-N 		Cycloeucalenone

metacyc.compound:CPD-12868
metacycM:CPD-12868
NFRXSIOHGADFRG-MEMZBLDGSA-N 		cycloeucalenone
3H,19H-cyclopropa[9,10]cyclopenta[a]phenanthrene
4alpha,14alpha-dimethyl-9beta,19-cyclo-ergost-24(241)-en-3-one
9,19-cyclo-5alpha,9beta-ergost-24(28)-en-3-one

keggC:M_C22121
seedM:M_cpd23618 		secondary/obsolete/fantasy identifier