input word = C00037248

Metabolite InformationStructural formula
Name Helianyl octanoate
Formula C38H66O2
Mw 554.50628135
CAS RN 290305-83-8
C_ID C00037248 ,
InChIKey AFZHQMQGUKDWSJ-XSJPASKSNA-N
InChICode InChI=1S/C38H66O2/c1-10-11-12-13-14-20-35(39)40-27-16-19-33-31(29(4)5)21-22-34-36(33,7)25-26-37(8)32(23-24-38(34,37)9)30(6)18-15-17-28(2)3/h17,30,32-34H,10-16,18-27H2,1-9H3/t30-,32-,33+,34-,36+,37-,38+/m0/s1
SMILES [C@@]12([C@@](CC[C@]3([C@@H]1CCC(=C(C)C)[C@H]3CCCOC(=O)CCCCCCC)C)([C@@H](CC2)[C@@H](C)CCC=C(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
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