input word = C00037433

Metabolite InformationStructural formula
Name Longitin
Formula C28H32O14
Mw 592.17920573
CAS RN 441764-90-5
C_ID C00037433 ,
InChIKey YFVGIJBUXMQFOF-YWODZQPKNA-N
InChICode InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19-,21+,22-,23+,24+,25-,26-,27-,28-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)OC)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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMentha longifolia Ref.
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