input word = C00005771

Metabolite InformationStructural formula
Name Mearnsetin 3,7-dirhamnoside
Formula C28H32O16
Mw 624.16903498
CAS RN 137196-20-4
C_ID C00005771 ,
InChIKey RGWKAEPSNVHPMO-YDSAIBSUNA-N
InChICode InChI=1S/C28H32O16/c1-8-17(32)20(35)22(37)27(40-8)42-11-6-12(29)16-15(7-11)43-24(10-4-13(30)25(39-3)14(31)5-10)26(19(16)34)44-28-23(38)21(36)18(33)9(2)41-28/h4-9,17-18,20-23,27-33,35-38H,1-3H3/t8-,9+,17+,18+,20+,21-,22-,23+,27+,28+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)c1cc(c(c(c1)O)OC)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
PlantaeAspleniaceaeAsplenium antiquum Ref.
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