input word = C00002659

Metabolite InformationStructural formula
Name Leiocarposide
Formula C27H34O16
Mw 614.18468504
CAS RN 71953-77-0
C_ID C00002659 ,
InChIKey WQQJTVODGXZMHF-NBCFFSTANA-N
InChICode InChI=1S/C27H34O16/c1-38-24-14(41-27-23(36)21(34)19(32)16(9-29)43-27)7-6-12(30)17(24)25(37)39-10-11-4-2-3-5-13(11)40-26-22(35)20(33)18(31)15(8-28)42-26/h2-7,15-16,18-23,26-36H,8-10H2,1H3/t15-,16+,18-,19-,20+,21+,22+,23+,26-,27-/m1/s1
SMILES [C@@H]1([C@@H]([C@@H]([C@@H](O[C@H]1CO)Oc1c(c(c(cc1)O)C(=O)OCc1ccccc1O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSolidago virgaurea Ref.
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