input word = C00032763

Metabolite InformationStructural formula
Name Biatractylolide
(+)-Biatractylolide
Formula C30H38O4
Mw 462.2770097
CAS RN 182426-37-5
C_ID C00032763 ,
InChIKey RBJDJJGMGHKQMI-WHQINCISNA-N
InChICode InChI=1S/C30H38O4/c1-17-9-7-11-27(5)15-29(23(13-21(17)27)19(3)25(31)33-29)30-16-28(6)12-8-10-18(2)22(28)14-24(30)20(4)26(32)34-30/h21-22H,1-2,7-16H2,3-6H3/t21-,22-,27+,28+,29-,30-/m1/s1
SMILES C=C1CCC[C@@]2(C)C[C@@]3([C@@]45C[C@]6(C)CCCC(=C)[C@H]6CC4=C(C)C(=O)O5)OC(=O)C(C)=C3C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAtractylodes macrocephala Ref.
--Trattinickia rhoifolia WILD Ref.
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