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terpendole C

MNXM146627 is deprecated and here replaced by MNXM1100328
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1100328 Image of MNXM1100328
referencechebi:144410
formulaC32H41NO5
global charge0
mol weight519.682
InChIKeyWUOATFFODCBZBE-SCGIUCFSSA-N
InChIInChI=1S/C32H41NO5/c1-17(2)15-23-36-24-26(28(3,4)37-23)35-22-12-13-29(5)30(6)18(11-14-31(29,34)32(22)27(24)38-32)16-20-19-9-7-8-10-21(19)33-25(20)30/h7-10,15,18,22-24,26-27,33-34H,11-14,16H2,1-6H3/t18-,22-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1
SMILESCC(C)=C[C@H]1O[C@H]2[C@H]3O[C@@]34[C@H](CC[C@@]3(C)[C@@]4(O)CC[C@H]4CC5=C(NC6=C5C=CC=C6)[C@@]43C)O[C@@H]2C(C)(C)O1
MNX internals
InChI (mnx)InChI=1/C32H41NO5/c1-17(2)15-23-36-24-26(28(3,4)37-23)35-22-12-13-29(5)30(6)18(11-14-31(29,34)32(22)27(24)38-32)16-20-19-9-7-8-10-21(19)33-25(20)30/h7-10,15,18,22-24,26-27,33-34H,11-14,16H2,1-6H3/t18-,22-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1 Image of MNXM1100328
SMILES (mnx)[CH3:1][C:17]([CH3:2])=[CH:15][C@H:23]1[O:36][C@@H:24]2[C@@H:26]([C:28]([CH3:3])([CH3:4])[O:37]1)[O:35][C@H:22]1[CH2:12][CH2:13][C@:29]3([CH3:5])[C@:30]4([CH3:6])[C@@H:18]([CH2:11][CH2:14][C@@:31]3([OH:34])[C@@:32]13[C@@H:27]2[O:38]3)[CH2:16][C:20]1=[C:25]4[NH:33][C:21]2=[CH:10][CH:8]=[CH:7][CH:9]=[C:19]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:144410
chebi:144410
WUOATFFODCBZBE-SCGIUCFSSA-N 		terpendole C
(-)-terpendole C
(3S,4aR,4bR,5aS,5bS,7aS,13bS,13cR,15aS,16aS)-1,1,13b,13c-tetramethyl-3-(2-methylprop-1-en-1-yl)-1,4a,4b,6,7,7a,8,13,13b,13c,14,15,15a,16a-tetradecahydro-3H,5bH-[1,3]dioxino[5'',4'':2',3']oxireno[4',4a'][1]benzopyrano[5',6':6,7]indeno[1,2-b]indol-5b-ol

seed.compound:cpd31181
seedM:cpd31181
kegg.compound:C20546
keggC:C20546
WUOATFFODCBZBE-SCGIUCFSSA-N 		Terpendole C

metacyc.compound:CPD-17198
metacycM:CPD-17198
seed.compound:cpd31768
seedM:cpd31768
WUOATFFODCBZBE-PJQDGAQASA-N 		terpendole C

keggC:M_C20546
seedM:M_cpd31181
seedM:M_cpd31768 		secondary/obsolete/fantasy identifier