input word = C00048538

Metabolite InformationStructural formula
Name Sinuolatin A
(-)-Sinuolatin A
Formula C21H32O7
Mw 396.21480338
CAS RN 1196974-01-2
C_ID C00048538 ,
InChIKey JXNJRPBFAVZWNL-IXSHFEFHNA-N
InChICode InChI=1S/C21H32O7/c1-18(2)5-4-13(23)19-9-28-21(26,17(25)15(18)19)20-7-10(6-12(22)14(19)20)11(8-27-3)16(20)24/h10-15,17,22-23,25-26H,4-9H2,1-3H3/t10-,11-,12-,13+,14-,15-,17+,19?,20+,21-/m1/s1
SMILES [C@H]1([C@@]23[C@@H](C(CC1)(C)C)[C@@H]([C@]([C@@]14[C@@H]2[C@@H](C[C@@H]([C@H](C1=O)COC)C4)O)(OC3)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon sinuolata Ref.
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