input word = C00039839

Metabolite InformationStructural formula
Name Neolloydosin
Formula C20H28O12
Mw 460.15807636
CAS RN 20226-67-9
C_ID C00039839 ,
InChIKey PBILEZBWIBJOSA-ZXRDFRGDNA-N
InChICode InChI=1S/C20H28O12/c1-8(21)9-3-4-11(12(5-9)28-2)31-20-18(27)16(25)15(24)13(32-20)7-30-19-17(26)14(23)10(22)6-29-19/h3-5,10,13-20,22-27H,6-7H2,1-2H3/t10-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1Oc1c(cc(cc1)C(=O)C)OC)CO[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeStachys lanata Ref.
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