input word = C00012076

Metabolite InformationStructural formula
Name 2-Acetoxy-4,5-dihydroxykleinifulgin
Formula C32H48O11
Mw 608.31966238
CAS RN 79383-75-8
C_ID C00012076 ,
InChIKey KFQZVOVQZZCJFE-YAIZVODPNA-N
InChICode InChI=1S/C32H48O11/c1-12-17(6)28(35)40-23-21(16(4)5)15-22(34)31(10,38)25(41-29(36)18(7)13-2)24(39-20(9)33)27-32(11,43-27)26(23)42-30(37)19(8)14-3/h13-14,17,21-27,34,38H,4,12,15H2,1-3,5-11H3/b18-13-,19-14-/t17-,21-,22-,23+,24-,25+,26+,27-,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(=C)C)O)(C)O)OC(=O)/C(=C\C)/C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeKleinia fulgens Ref.
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