input word = C00012078

Metabolite InformationStructural formula
Name 5-Acetoxy-11,13-epoxy-2,4-dihydroxykleinifulgin
Formula C32H48O12
Mw 624.314577
CAS RN 79383-77-0
C_ID C00012078 ,
InChIKey UBDBQLDOKLPQJR-GSJPHIMYNA-N
InChICode InChI=1S/C32H48O12/c1-11-16(4)27(35)41-23-20(30(8)15-39-30)14-21(40-19(7)33)31(9,38)24(42-28(36)17(5)12-2)22(34)25-32(10,44-25)26(23)43-29(37)18(6)13-3/h12-13,16,20-26,34,38H,11,14-15H2,1-10H3/b17-12-,18-13-/t16-,20+,21-,22+,23+,24+,25-,26+,30+,31+,32+/m1/s1
SMILES [C@@H]1([C@@H]([C@@]([C@@H](C[C@@H]([C@@H]([C@@H]([C@@]2([C@@H]1O2)C)OC(=O)/C(=C\C)/C)OC(=O)[C@H](C)CC)[C@@]1(C)OC1)OC(=O)C)(C)O)OC(=O)/C(=C\C)/C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeKleinia fulgens Ref.
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