input word = C00006271

Metabolite InformationStructural formula
Name Isomargaritene
Formula C28H32O14
Mw 592.17920573
CAS RN 64271-11-0
C_ID C00006271 ,
InChIKey JIKPWRRUSIBFLE-VJJORKBYNA-N
InChICode InChI=1S/C28H32O14/c1-10-20(32)23(35)25(37)28(39-10)42-27-24(36)21(33)17(9-29)41-26(27)19-14(31)8-16-18(22(19)34)13(30)7-15(40-16)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-21,23-29,31-37H,9H2,1-2H3/t10-,17-,20-,21+,23-,24-,25+,26-,27+,28-/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)OC)O)[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)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeFortunella japonica Ref.
PlantaeRutaceaeFortunella margarita Ref.
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