input word = C00012397

Metabolite InformationStructural formula
Name Incaspitolide D
Formula C23H34O9
Mw 454.22028269
CAS RN 81915-78-8
C_ID C00012397 ,
InChIKey LEFVAHAOTFBSKA-JVAYLTRQNA-N
InChICode InChI=1S/C23H34O9/c1-10(2)20(26)30-17-12(5)8-9-14(24)23(7,29)19(32-21(27)11(3)4)18-15(16(17)25)13(6)22(28)31-18/h10-12,15-19,25,29H,6,8-9H2,1-5,7H3/t12-,15-,16-,17-,18+,19-,23-/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)C(OC(=O)C(C)C)[C@@H](C)CCC(=O)[C@](C)(O)[C@H]2OC(=O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula cuspidata Ref.
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