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terpendole B

MNXM146626 is deprecated and here replaced by MNXM1100316
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1100316 Image of MNXM1100316
referencechebi:176957
formulaC27H35NO3
global charge0
mol weight421.581
InChIKeyZUYOYPXENZYYBN-SDVLGWPOSA-N
InChIInChI=1S/C27H35NO3/c1-24(2,29)21-14-22-27(31-22)19-10-9-15-13-17-16-7-5-6-8-18(16)28-23(17)26(15,4)25(19,3)12-11-20(27)30-21/h5-8,15,19-22,28-29H,9-14H2,1-4H3/t15-,19+,20-,21-,22+,25-,26+,27-/m0/s1
SMILESCC(C)(O)[C@@H]1C[C@H]2O[C@@]23[C@H](CC[C@@]2(C)[C@H]3CC[C@H]3CC4=C(NC5=C4C=CC=C5)[C@@]32C)O1
MNX internals
InChI (mnx)InChI=1/C27H35NO3/c1-24(2,29)21-14-22-27(31-22)19-10-9-15-13-17-16-7-5-6-8-18(16)28-23(17)26(15,4)25(19,3)12-11-20(27)30-21/h5-8,15,19-22,28-29H,9-14H2,1-4H3/t15-,19+,20-,21-,22+,25-,26+,27-/m0/s1 Image of MNXM1100316
SMILES (mnx)[CH3:1][C:24]([CH3:2])([C@@H:21]1[CH2:14][C@@H:22]2[C@@:27]3([C@@H:19]4[CH2:10][CH2:9][C@H:15]5[CH2:13][C:17]6=[C:23]([C@:26]5([CH3:4])[C@@:25]4([CH3:3])[CH2:12][CH2:11][C@@H:20]3[O:30]1)[NH:28][C:18]1=[CH:8][CH:6]=[CH:5][CH:7]=[C:16]61)[O:31]2)[OH:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176957
chebi:176957
ZUYOYPXENZYYBN-SDVLGWPOSA-N 		terpendole B
2-[(1S,2S,5S,7S,9R,11R,12R,15S)-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-tetraen-7-yl]propan-2-ol
Terpendole B

seed.compound:cpd31169
seedM:cpd31169
kegg.compound:C20528
keggC:C20528
ZUYOYPXENZYYBN-SDVLGWPOSA-N 		Terpendole B

keggC:M_C20528
seedM:M_cpd31169 		secondary/obsolete/fantasy identifier