input word = C00046109

Metabolite InformationStructural formula
Name Macrophyllidimer B
(-)-Macrophyllidimer B
Formula C30H40O4
Mw 464.29265977
CAS RN 264622-83-5
C_ID C00046109 ,
InChIKey YSSIFGYDZGBFIH-WLVBHCTFNA-N
InChICode InChI=1S/C30H40O4/c1-9-29(7)15-25-21(13-23(29)17(3)4)19(27(31)33-25)11-12-20-22-14-24(18(5)6)30(8,10-2)16-26(22)34-28(20)32/h9-10,19,21,23-26H,1-3,5,11-16H2,4,6-8H3/t19-,21+,23-,24+,25+,26+,29+,30-/m0/s1
SMILES C=C[C@]1([C@H](C(=C)C)C[C@H]2[C@@H](C1)OC(=O)[C@H]2CCC1=C2[C@H](OC1=O)C[C@@]([C@H](C2)C(=C)C)(C=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula macrophylla Ref.
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OrganismInula macrophylla
ReferenceSu,J.Nat.Prod.,64,(2001),466