input word = C00037395

Metabolite InformationStructural formula
Name Koelpinin C
(+)-Koelpinin C
Formula C29H44O2
Mw 424.33413065
CAS RN 263169-64-8
C_ID C00037395 ,
InChIKey KLTLHPPOKSEAFC-HRHWLRDCNA-N
InChICode InChI=1S/C29H44O2/c1-17(2)18-8-9-19-21(30)16-29(7)20(25(18)19)10-11-23-27(5)14-13-24(31)26(3,4)22(27)12-15-28(23,29)6/h10,17-18,22-24,31H,8-9,11-16H2,1-7H3/t18-,22-,23+,24-,27-,28+,29+/m0/s1
SMILES C12=C(C(=O)C[C@@]3(C1=CC[C@H]1[C@]3(CC[C@@H]3[C@@]1(CC[C@@H](C3(C)C)O)C)C)C)CC[C@H]2C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeKoelpinia linearis Ref.
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OrganismKoelpinia linearis
ReferenceKoul,Phytochem.,53,(2000),305