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Terpendole I

MNXM146313 is deprecated and here replaced by MNXM1100326
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1100326 Image of MNXM1100326
referencechebi:144412
formulaC27H35NO5
global charge0
mol weight453.579
InChIKeyAKOANWZRKXOJTC-ZWNZASDISA-N
InChIInChI=1S/C27H35NO5/c1-23(2,30)21-19(29)22-27(33-22)18(32-21)10-11-24(3)25(4)14(9-12-26(24,27)31)13-16-15-7-5-6-8-17(15)28-20(16)25/h5-8,14,18-19,21-22,28-31H,9-13H2,1-4H3/t14-,18-,19+,21-,22+,24+,25+,26-,27-/m0/s1
SMILESCC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4CC5=C(NC6=CC=CC=C65)[C@@]43C)[C@]23O[C@@H]3[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C27H35NO5/c1-23(2,30)21-19(29)22-27(33-22)18(32-21)10-11-24(3)25(4)14(9-12-26(24,27)31)13-16-15-7-5-6-8-17(15)28-20(16)25/h5-8,14,18-19,21-22,28-31H,9-13H2,1-4H3/t14-,18-,19+,21-,22+,24+,25+,26-,27-/m0/s1 Image of MNXM1100326
SMILES (mnx)[CH3:1][C:23]([CH3:2])([C@@H:21]1[C@@H:19]([OH:29])[C@@H:22]2[C@:27]3([C@H:18]([CH2:10][CH2:11][C@:24]4([CH3:3])[C@:25]5([CH3:4])[C@@H:14]([CH2:9][CH2:12][C@:26]43[OH:31])[CH2:13][C:16]3=[C:20]5[NH:28][C:17]4=[CH:8][CH:6]=[CH:5][CH:7]=[C:15]34)[O:32]1)[O:33]2)[OH:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:144412
chebi:144412
AKOANWZRKXOJTC-ZWNZASDISA-N 		Terpendole I
(1S,2R,5S,7S,8R,9R,11S,12S,15S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18,20,22-tetraene-8,12-diol

seed.compound:cpd31179
seedM:cpd31179
kegg.compound:C20543
keggC:C20543
AKOANWZRKXOJTC-ZWNZASDISA-N 		Terpendole I

metacyc.compound:CPD-17196
metacycM:CPD-17196
seed.compound:cpd32299
seedM:cpd32299
AKOANWZRKXOJTC-ZXERXDGWSA-N 		terpendole I

keggC:M_C20543
seedM:M_cpd31179
seedM:M_cpd32299 		secondary/obsolete/fantasy identifier