input word = C00035368

Metabolite InformationStructural formula
Name Phyllanthusiin D
Formula C44H32O27
Mw 992.11309582
CAS RN 133145-19-4
C_ID C00035368 ,
InChIKey RLIDGKWTTDJVIN-UHFFFAOYNA-N
InChICode InChI=1S/C44H32O27/c1-10(45)8-43(63)22(51)7-15-26-25-14(6-20(50)30(55)34(25)71-44(26,43)64)40(61)69-36-35-33(67-41(15)62)21(66-42(36)70-37(58)11-2-16(46)27(52)17(47)3-11)9-65-38(59)12-4-18(48)28(53)31(56)23(12)24-13(39(60)68-35)5-19(49)29(54)32(24)57/h2-7,21,26,33,35-36,42,46-50,52-57,63-64H,8-9H2,1H3/t21-,26-,33-,35-,36-,42+,43-,44+/m0/s1
SMILES O1[C@H](OC(=O)c2cc(c(c(c2)O)O)O)[C@@H]2[C@H]3OC(=O)c4c(c5c(C(=O)OC[C@H]1[C@@H]3OC(=O)C1=CC(=O)[C@@]([C@]3([C@@H]1c1c(C(=O)O2)cc(c(c1O3)O)O)O)(O)CC(=O)C)cc(c(c5O)O)O)c(c(c(c4)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGeraniaceaeGeranium thunbergii Ref.
--Euphoria longan Ref.
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