input word = C00000986

Metabolite InformationStructural formula
Name Neoeriocitrin
Formula C27H32O15
Mw 596.17412036
CAS RN 13241-32-2
C_ID C00000986 ,
InChIKey OBKKEZLIABHSGY-UYJCRREGNA-N
InChICode InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3/t9-,16+,18+,20+,21-,22+,23+,24-,25-,26+,27-/m1/s1
SMILES c1(cc(c2c(c1)O[C@@H](CC2=O)c1cc(c(cc1)O)O)O)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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus aurantium L. var. amara Ref.
PlantaeRutaceaeCitrus paradisi Ref.
PlantaeRutaceaeCitrus reticulata Ref.
PlantaeRutaceaeCitrus sp. Ref.
PlantaeRutaceaeCitrus spp. Ref.
PlantaeSimaroubaceaeAilanthus integrifolia Ref.
zoom in