input word = C00045729

Metabolite InformationStructural formula
Name Casearlucin K
(+)-Casearlucin K
Formula C29H42O9
Mw 534.28288294
CAS RN 405507-98-4
C_ID C00045729 ,
InChIKey FVXRSGIAXHNGNZ-DTAPWGMNNA-N
InChICode InChI=1S/C29H42O9/c1-9-15(3)22(32)14-28(8)17(5)11-24(33)29-21(26(35-18(6)30)38-27(29)36-19(7)31)12-20(13-23(28)29)37-25(34)16(4)10-2/h9,12,16-17,20,22-24,26-27,32-33H,1,3,10-11,13-14H2,2,4-8H3/t16-,17-,20-,22-,23+,24+,26+,27-,28-,29-/m0/s1
SMILES C1[C@@H]([C@]([C@@H]2[C@]3([C@@H]1O)C(=C[C@@H](C2)OC(=O)[C@@H](C)CC)[C@@H](O[C@@H]3OC(=O)C)OC(=O)C)(C)C[C@H](O)C(=C)C=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia lucida Ref.
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