input word = C00031017

Metabolite InformationStructural formula
Name Phyllanthusmin B
Formula C38H26O12
Mw 674.1424263
CAS RN 914639-25-1
C_ID C00031017 ,
InChIKey PDCZTHZYQGOSBV-ZXFJIPBZNA-N
InChICode InChI=1S/C28H26O12/c1-12(29)39-21-10-36-28(25(31)24(21)30)40-26-15-8-19(34-3)18(33-2)7-14(15)22(23-16(26)9-35-27(23)32)13-4-5-17-20(6-13)38-11-37-17/h4-8,21,24-25,28,30-31H,9-11H2,1-3H3/t21-,24-,25+,28-/m1/s1
SMILES COc1cc2c(O[C@@H]3OC[C@H](OC(C)=O)[C@H](O)[C@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus oligospermus Ref.
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