input word = C00012077

Metabolite InformationStructural formula
Name 5-Acetoxy-2,4-dihydroxykleinifulgin
Formula C32H48O11
Mw 608.31966238
CAS RN 79383-74-7
C_ID C00012077 ,
InChIKey YJSRUVLMESOVTP-TWWXYUBRNA-N
InChICode InChI=1S/C32H48O11/c1-12-17(6)28(35)40-24-21(16(4)5)15-22(39-20(9)33)31(10,38)25(41-29(36)18(7)13-2)23(34)26-32(11,43-26)27(24)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=C(C)[C@H]1C[C@@H](OC(C)=O)[C@](C)(O)[C@@H](OC(=O)/C(C)=CC)[C@@H](O)[C@H]2O[C@@]2(C)[C@@H](OC(=O)/C(C)=CC)[C@H]1OC(=O)C(C)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeKleinia fulgens Ref.
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