input word = C00044994

Metabolite InformationStructural formula
Name Pachyclavulariolide R
(-)-Pachyclavulariolide R
Formula C20H30O6
Mw 366.20423869
CAS RN 551938-81-9
C_ID C00044994 ,
InChIKey XZOFNDHIXPGCJU-AJJOJVSUNA-N
InChICode InChI=1S/C20H30O6/c1-11-6-5-7-12(2)14-8-9-19(3,26-14)17(22)16-15(13(21)10-11)20(4,24)18(23)25-16/h6,12,14-17,22,24H,5,7-10H2,1-4H3/b11-6+/t12-,14-,15-,16-,17+,19-,20-/m0/s1
SMILES C/C1=CCC[C@H](C)[C@@H]2CC[C@](C)(O2)[C@H](O)[C@H]2OC(=O)[C@@](C)(O)[C@H]2C(=O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pachyclavularia violacea Ref.
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