Search MNXref
 Feedback

Budlein A

PropertiesImage
MNX_IDMNXM44887 Image of MNXM44887
referencechebi:3208
formulaC20H22O7
global charge0
mol weight374.389
InChIKeyBMVJFNLJSZHNNS-ZXRHVTAXSA-N
InChIInChI=1S/C20H22O7/c1-5-10(2)18(23)26-15-8-20(4)16(22)7-13(27-20)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-7,14-15,17,21H,3,8-9H2,1-2,4H3/b10-5-,12-6-/t14-,15-,17+,20-/m1/s1
SMILESC=C1C(=O)O[C@@H]2/C=C(/CO)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3
MNX internals
InChI (mnx)InChI=1/C20H22O7/c1-5-10(2)18(23)26-15-8-20(4)16(22)7-13(27-20)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-7,14-15,17,21H,3,8-9H2,1-2,4H3/b10-5-,12-6-/t14-,15-,17+,20-/m1/s1 Image of MNXM44887
SMILES (mnx)[CH3:1]/[CH:5]=[C:10](/[CH3:2])[C:18](=[O:23])[O:26][C@@H:15]1[CH2:8][C@:20]2([CH3:4])[C:16](=[O:22])[CH:7]=[C:13](/[C:12]([CH2:9][OH:21])=[CH:6]\[C@@H:14]3[C@@H:17]1[C:11](=[CH2:3])[C:19](=[O:24])[O:25]3)[O:27]2
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:cpd06246
seedM:cpd06246
CHEBI:3208
chebi:3208
kegg.compound:C09351
keggC:C09351
BMVJFNLJSZHNNS-ZXRHVTAXSA-N 		Budlein A

keggC:M_C09351
seedM:M_cpd06246 		secondary/obsolete/fantasy identifier