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13-desoxypaxilline

MNXM124269 is deprecated and replaced by MNXM1100319
PropertiesImage
MNX_IDMNXM1100319 Image of MNXM1100319
referencechebi:187070
formulaC27H33NO3
global charge0
mol weight419.565
InChIKeyGYSZYWSJZCKCBD-LXGUAGHKSA-N
InChIInChI=1S/C27H33NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,22,24,28,30H,9-13H2,1-4H3/t15-,19-,22-,24-,26-,27+/m0/s1
SMILESCC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4CC5=C(NC6=C5C=CC=C6)[C@@]43C)C2=CC1=O
MNX internals
InChI (mnx)InChI=1/C27H33NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,22,24,28,30H,9-13H2,1-4H3/t15-,19-,22-,24-,26-,27+/m0/s1 Image of MNXM1100319
SMILES (mnx)[CH3:1][C:25]([CH3:2])([C@@H:24]1[C:21](=[O:29])[CH:14]=[C:18]2[C@@H:19]3[CH2:10][CH2:9][C@H:15]4[CH2:13][C:17]5=[C:23]([C@:27]4([CH3:4])[C@@:26]3([CH3:3])[CH2:12][CH2:11][C@@H:22]2[O:31]1)[NH:28][C:20]1=[CH:8][CH:6]=[CH:5][CH:7]=[C:16]51)[OH:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:187070
chebi:187070
GYSZYWSJZCKCBD-LXGUAGHKSA-N 		13-desoxypaxilline
(1S,2S,5S,7R,11R,14S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-one
Dehydroxypaxilline

kegg.compound:C20531
keggC:C20531
GYSZYWSJZCKCBD-LXGUAGHKSA-N 		13-Desoxypaxilline
13-Deoxypaxilline

seed.compound:cpd31172
seedM:cpd31172
GYSZYWSJZCKCBD-LXGUAGHKSA-N 		13-Desoxypaxilline
13-Deoxypaxilline
13-desoxypaxilline

metacyc.compound:CPD-16743
metacycM:CPD-16743
GYSZYWSJZCKCBD-LXGUAGHKSA-N 		13-desoxypaxilline

keggC:M_C20531
seedM:M_cpd31172 		secondary/obsolete/fantasy identifier