input word = C00056909

Metabolite InformationStructural formula
Name Sandoripin B
Formula C35H46O15
Mw 706.2836708
CAS RN 1186468-25-6
C_ID C00056909
InChIKey HMTUJLCTYBGESJ-UURKTXIBSA-N
InChICode InChI=1S/C35H46O15/c1-14(2)29(41)48-24-27(46-17(5)37)32(6,7)20(13-22(38)44-10)33(8)19-12-21(45-16(4)36)34(9)26(18-11-23(39)47-30(18)42)49-31(43)25(40)35(34,15(19)3)50-28(24)33/h11,14,19-21,23-28,39-40H,3,12-13H2,1-2,4-10H3/t19-,20-,21-,23?,24-,25+,26-,27-,28-,33+,34-,35+/m0/s1
SMILES O=C(C(C)C)O[C@@H]1[C@@]2([H])[C@@]([C@]([H])(C3=C)C[C@H](OC(C)=O)[C@]([C@H](C4=CC(O)OC4=O)OC([C@H]5O)=O)(C)[C@]53O2)(C)[C@@H](CC(OC)=O)C(C)(C)[C@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSandoricum koetjape Ref.
zoom in