input word = C00002618

Metabolite InformationStructural formula
Name Phyllanthostatin A
Formula C29H30O13
Mw 586.16864105
CAS RN 119767-19-0
C_ID C00002618 ,
InChIKey KQSAUOPDQAYSSQ-SPBBIVEVNA-N
InChICode InChI=1S/C29H30O13/c1-13(31)38-11-16-6-15-8-19(36-2)20(37-3)9-17(15)23(14-4-5-18-21(7-14)40-12-39-18)24(16)28(35)42-29-27(34)26(33)25(32)22(10-30)41-29/h4-9,22,25-27,29-30,32-34H,10-12H2,1-3H3/t22-,25-,26-,27-,29+/m1/s1
SMILES COc1cc2cc(COC(C)=O)c(C(=O)O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)c(-c3ccc4c(c3)OCO4)c2cc1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus acuminatus Ref.
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