input word = C00008721

Metabolite InformationStructural formula
Name Anacheiloside
Formula C28H34O16
Mw 626.18468504
CAS RN 102904-44-9
C_ID C00008721 ,
InChIKey LHBDCXCXWSEJNQ-BPKANMAVNA-N
InChICode InChI=1S/C28H34O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-14(39-2)12(30)5-10/h3-7,9,16,18-19,21-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21-,22+,23-,24+,25-,26+,27+,28-/m0/s1
SMILES c1c(c2c(cc1O)O[C@H]([C@@H](C2=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)c1ccc(c(c1)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeAnacheilium sp. Ref.
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