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ginkgolide B

MNXM1105868 is deprecated and here replaced by MNXM1364117
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1364117 Image of MNXM1364117
referencechebi:5356
formulaC20H24O10
global charge0
mol weight424.402
InChIKeySQOJOAFXDQDRGF-NNGCZKEZSA-N
InChIInChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11+,15+,17?,18?,19-,20-/m1/s1
SMILESC[C@@H]1C(=O)O[C@H]2[C@H](O)C34[C@H]5C[C@@H](C(C)(C)C)C36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O
MNX internals
InChI (mnx)InChI=1/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11+,15+,17?,18?,19-,20-/m1/s1 Image of MNXM1364117
SMILES (mnx)[CH3:1][C@@H:6]1[C:12](=[O:23])[O:28][C@H:11]2[C@H:9]([OH:21])[C:18]34[C@H:8]5[CH2:5][C@@H:7]([C:16]([CH3:2])([CH3:3])[CH3:4])[C:17]36[C@@H:10]([OH:22])[C:13](=[O:24])[O:29][C@H:15]6[O:30][C@@:20]4([C:14](=[O:25])[O:27]5)[C@@:19]12[OH:26]
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

CHEBI:5356
chebi:5356
SQOJOAFXDQDRGF-NNGCZKEZSA-N 		ginkgolide B
(1R,3R,6R,8S,10R,12R,13S,16S,17R)-8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0(1,11).0(3,7).0(7,11).0(13,17)]nonadecane-5,15,18-trione

seed.compound:cpd04766
seedM:cpd04766
lipidmaps:LMPR0104540002
lipidmapsM:LMPR0104540002
SQOJOAFXDQDRGF-NNGCZKEZSA-N 		Ginkgolide B

seedM:M_cpd04766 		secondary/obsolete/fantasy identifier