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 sp. Ref.
PlantaeRutaceaeCitrus spp. Ref.
PlantaeSimaroubaceaeAilanthus integrifolia Ref.
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