input word = C00003309

Metabolite InformationStructural formula
Name Isotenulin
Formula C17H22O5
Mw 306.14672381
CAS RN 10092-04-3
C_ID C00003309 ,
InChIKey NEIIKBWBBCJSQU-RNRRIQQANA-N
InChICode InChI=1S/C17H22O5/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/h5-6,8-9,11-12,14-15H,7H2,1-4H3/t8-,9-,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)[C@@H]3C)OC(=O)C)(C(=O)C=C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelenium arizonicum Ref.
PlantaeAsteraceaeHelenium bigelovii Ref.
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OrganismHelenium bigelovii
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51