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Ailanthone

PropertiesImage
MNX_IDMNXM40474 Image of MNXM40474
referencechebi:2522
formulaC20H24O7
global charge0
mol weight376.405
InChIKeyWBBVXGHSWZIJST-RLQYZCPESA-N
InChIInChI=1S/C20H24O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,10-11,13,15-17,23-25H,2,5-7H2,1,3H3/t10-,11-,13+,15+,16+,17+,18+,19+,20-/m0/s1
SMILESC=C1[C@@H](O)[C@]2(O)OC[C@]34[C@H]2[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2C[C@H]3OC(=O)C[C@@H]14
MNX internals
InChI (mnx)InChI=1/C20H24O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,10-11,13,15-17,23-25H,2,5-7H2,1,3H3/t10-,11-,13+,15+,16+,17+,18+,19+,20-/m0/s1 Image of MNXM40474
SMILES (mnx)[CH3:1][C:8]1=[CH:4][C:12](=[O:21])[C@@H:16]([OH:24])[C@@:18]2([CH3:3])[C@H:10]1[CH2:5][C@@H:13]1[C@@:19]34[CH2:7][O:26][C@@:20]([OH:25])([C@H:15]([OH:23])[C:9](=[CH2:2])[C@@H:11]3[CH2:6][C:14](=[O:22])[O:27]1)[C@H:17]24
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd05652
seedM:cpd05652
CHEBI:2522
chebi:2522
kegg.compound:C08747
keggC:C08747
WBBVXGHSWZIJST-IBBURCHBSA-N
WBBVXGHSWZIJST-RLQYZCPESA-N 		Ailanthone

keggC:M_C08747
seedM:M_cpd05652 		secondary/obsolete/fantasy identifier