input word = C00040918

Metabolite InformationStructural formula
Name Citrusin B
Formula C27H36O13
Mw 568.21559124
CAS RN 105279-10-5
C_ID C00040918 ,
InChIKey XMGKCJUCYBLMBY-SNAWJCMRNA-N
InChICode InChI=1S/C27H36O13/c1-35-17-11-15(6-7-16(17)39-27-25(34)24(33)23(32)21(13-30)40-27)22(31)20(12-29)38-26-18(36-2)9-14(5-4-8-28)10-19(26)37-3/h4-7,9-11,20-25,27-34H,8,12-13H2,1-3H3/b5-4+/t20-,21+,22-,23+,24+,25+,27+/m0/s1
SMILES c1c(c(cc(c1)[C@@H]([C@@H](Oc1c(cc(cc1OC)/C=C/CO)OC)CO)O)OC)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeHovenia trichocarea Ref.
PlantaeRutaceaeCitrus limon Ref.
PlantaeRutaceaeFortunella japonica Ref.
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