input word = C00021118

Metabolite InformationStructural formula
Name Bigelovin
Formula C17H20O5
Mw 304.13107375
CAS RN 3668-14-2
C_ID C00021118 ,
InChIKey DCNRYQODUSSOKC-BNDGFQIBNA-N
InChICode InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12+,14-,15+,17+/m1/s1
SMILES [C@@H]12[C@]([C@H]([C@H]3[C@H](C[C@H]1C)OC(=O)C3=C)OC(=O)C)(C(=O)C=C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeDittrichia graveolens (L.) GREUTER Ref.
PlantaeAsteraceaeHelenium scorzoneraefolia Ref.
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OrganismHelenium scorzoneraefolia
ReferenceMaldonado,J. Nat. Prod.,49,(1986),1152