input word = C00041902

Metabolite InformationStructural formula
Name Sylviside
(-)-Sylviside
Formula C31H44O12
Mw 608.28327687
CAS RN 869647-02-9
C_ID C00041902 ,
InChIKey PUCBVOBXLMBRDL-GJXNDUDDNA-N
InChICode InChI=1S/C31H44O12/c1-5-14(2)25(36)43-23-22(34)21(33)18(13-32)42-26(23)41-17-11-29(4)19-7-6-16-10-30(19,24(35)15(16)3)9-8-20(29)31(12-17,27(37)38)28(39)40/h5,16-24,26,32-35H,3,6-13H2,1-2,4H3,(H,37,38)(H,39,40)/b14-5-/t16-,17+,18-,19+,20+,21+,22+,23-,24+,26-,29+,30-/m1/s1
SMILES C=C1[C@@H]2CC[C@H]3[C@]4(C)C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5OC(=O)/C(C)=CC)CC(C(=O)O)(C(=O)O)[C@H]4CC[C@]3(C2)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGnaphalium sylvaticum Ref.
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