input word = C00012391

Metabolite InformationStructural formula
Name Calbertolide B
Formula C17H20O6
Mw 320.12598837
CAS RN 98659-28-0
C_ID C00012391 ,
InChIKey DGQROTBNZIJOHQ-UHFFFAOYNA-N
InChICode InChI=1S/C17H20O6/c1-9-6-14-12(10(2)16(20)22-14)7-15-17(23-15,5-4-13(9)19)8-21-11(3)18/h12,14-15H,1-2,4-8H2,3H3/t12-,14-,15+,17+/m1/s1
SMILES [C@H]12[C@H](OC(=O)C1=C)CC(=C)C(=O)CC[C@@]1([C@H](C2)O1)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea berteriana Ref.
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