input word = C00012401

Metabolite InformationStructural formula
Name Incaspitolide A
Formula C23H34O8
Mw 438.22536806
CAS RN 81915-79-9
C_ID C00012401 ,
InChIKey IDYIWKGLGJZZOR-VHVMGGATNA-N
InChICode InChI=1S/C23H34O8/c1-11(2)20(25)29-17-15-14(6)22(27)30-18(15)19(31-21(26)12(3)4)23(7,28)10-8-9-13(5)16(17)24/h11-13,15,17-19,28H,6,8-10H2,1-5,7H3/t13-,15+,17-,18+,19-,23-/m0/s1
SMILES [C@H]1(C(=O)[C@H]([C@@H]2[C@H]([C@@H]([C@@](CCC1)(C)O)OC(=O)C(C)C)OC(=O)C2=C)OC(=O)C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula cuspidata Ref.
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