input word = C00013136

Metabolite InformationStructural formula
Name Pringlein
Formula C33H38O11
Mw 610.24141206
CAS RN 111950-80-2
C_ID C00013136 ,
InChIKey LBSIRAHCGYKQDV-UHFFFAOYNA-N
InChICode InChI=1S/C33H38O11/c1-19(34)40-18-32-25(43-29(38)22-14-10-7-11-15-22)16-23-27(41-20(2)35)33(32,44-30(23,3)4)31(5,39)17-24(26(32)36)42-28(37)21-12-8-6-9-13-21/h6-15,23-27,36,39H,16-18H2,1-5H3/t23-,24+,25+,26-,27+,31-,32+,33+/m0/s1
SMILES O1[C@@]23[C@]([C@@H](C[C@H](C1(C)C)[C@H]3OC(=O)C)OC(=O)c1ccccc1)([C@H]([C@@H](C[C@]2(C)O)OC(=O)c1ccccc1)O)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCelastrus pringlei Ref.
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