input word = C00022799

Metabolite InformationStructural formula
Name Bacchalatifolin
Formula C38H64O6
Mw 616.47028978
CAS RN 120864-37-1
C_ID C00022799 ,
InChIKey BXJRKCUTFNMRDR-UDMSSSPUNA-N
InChICode InChI=1S/C38H64O6/c1-26(2)10-9-20-38(8,42)30-15-13-29(14-16-30)25-43-34(40)22-35(41)44-31-23-36(5,6)33-18-12-28(4)32(37(33,7)24-31)17-11-27(3)19-21-39/h10,12,27,29-33,39,42H,9,11,13-25H2,1-8H3/t27-,29-,30-,31+,32+,33+,37+,38-/m0/s1
SMILES [C@H]1(CC([C@@H]2[C@](C1)([C@@H](C(=CC2)C)CC[C@@H](CCO)C)C)(C)C)OC(=O)CC(=O)OC[C@H]1CC[C@@H](CC1)[C@](CCC=C(C)C)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis latifolia Ref.
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OrganismBaccharis latifolia
ReferenceZdero,Phytochem.,28,(1989),531