input word = C00011870

Metabolite InformationStructural formula
Name Lacinolide A
Formula C27H30O8
Mw 482.19406794
CAS RN 124898-72-2
C_ID C00011870 ,
InChIKey LPZIVVDKEXTXHN-QNUDKXEYNA-N
InChICode InChI=1S/C27H30O8/c1-14-11-19-22(15(2)23(28)32-19)20(33-25(30)27(5)16(3)34-27)13-26(4)21(35-26)12-18(14)31-24(29)17-9-7-6-8-10-17/h6-11,16,18-22H,2,12-13H2,1,3-5H3/b14-11-/t16-,18-,19-,20+,21+,22+,26-,27-/m0/s1
SMILES C1[C@@H](/C(=C\[C@@H]2OC(=O)C(=C)[C@H]2[C@@H](C[C@]2([C@@H]1O2)C)OC(=O)[C@]1(C)[C@@H](O1)C)/C)OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeViguiera laciniata Ref.
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