input word = C00022795

Metabolite InformationStructural formula
Name 16-Diacetoxy-7alpha-hydroxy-18-malonyloxy-ent-cleroda-3-ene
Formula C27H42O9
Mw 510.28288294
CAS RN
C_ID C00022795 ,
InChIKey MMBVEWKIJKMBGB-IWHHQTCSNA-N
InChICode InChI=1S/C27H42O9/c1-17-22(30)14-27(5)21(16-36-25(33)13-24(31)32)7-6-8-23(27)26(17,4)11-9-20(15-35-19(3)29)10-12-34-18(2)28/h7,17,20,22-23,30H,6,8-16H2,1-5H3,(H,31,32)/t17-,20+,22-,23-,26-,27+/m1/s1
SMILES C1C=C([C@]2([C@H](C1)[C@@]([C@@H]([C@@H](C2)O)C)(CC[C@@H](CCOC(=O)C)COC(=O)C)C)C)COC(=O)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis trimera Ref.
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