input word = C00002557

Metabolite InformationStructural formula
Name Paniculatin
Formula C27H30O15
Mw 594.15847029
CAS RN 32361-88-9
C_ID C00002557 ,
InChIKey ISNRVVKKHPECQN-NBNQLFPDNA-N
InChICode InChI=1S/C27H30O15/c28-5-11-17(32)21(36)23(38)26(41-11)14-19(34)13-16(31)10(8-1-3-9(30)4-2-8)7-40-25(13)15(20(14)35)27-24(39)22(37)18(33)12(6-29)42-27/h1-4,7,11-12,17-18,21-24,26-30,32-39H,5-6H2/t11-,12-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1
SMILES c1(c(c(c2c(c1[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)occ(c2=O)c1ccc(cc1)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDalbergia nitidula Ref.
PlantaeFabaceaeDalbergia paniculata Ref.
PlantaeRutaceaeMurraya paniculata Ref.
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