input word = C00048717

Metabolite InformationStructural formula
Name Glabraoside A
Formula C30H30O13
Mw 598.16864105
CAS RN 883222-13-7
C_ID C00048717 ,
InChIKey OKKMHZTVGJIQAP-DWGIYUGRNA-N
InChICode InChI=1S/C30H30O13/c1-11-25(37)26(38)27(39)30(40-11)42-22-8-15-18(33)10-21-24(29(15)43-28(22)13-3-5-17(32)20(35)7-13)14(9-23(36)41-21)12-2-4-16(31)19(34)6-12/h2-7,10-11,14,22,25-28,30-35,37-39H,8-9H2,1H3/t11-,14+,22+,25-,26+,27+,28+,30-/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2Cc3c(O)cc4c(c3O[C@@H]2c2ccc(O)c(O)c2)[C@@H](c2ccc(O)c(O)c2)CC(=O)O4)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChloranthaceaeSarcandra glabra Ref.
PlantaeRhizophoraceaeRhizophora stylosa Ref.
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