input word = C00006280

Metabolite InformationStructural formula
Name Margaritene
Formula C28H32O14
Mw 592.17920573
CAS RN 64271-10-9
C_ID C00006280 ,
InChIKey AOXGLIJSZLOQNZ-FHIQVKGJNA-N
InChICode InChI=1S/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-14(31)7-13(30)18-15(32)8-16(40-25(18)19)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-24,26-31,33-37H,9H2,1-2H3/t10-,17+,20-,21+,22-,23-,24+,26-,27+,28-/m0/s1
SMILES c1(cc(c2c(c1[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)oc(cc2=O)c1ccc(cc1)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeFortunella japonica Ref.
PlantaeRutaceaeFortunella margarita Ref.
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