input word = C00003517

Metabolite InformationStructural formula
Name Flaccidin B
Formula C41H64O12
Mw 748.43977751
CAS RN 117585-05-4
C_ID C00003517 ,
InChIKey OPTUUKHEYUERDZ-ASFODFJRNA-N
InChICode InChI=1S/C41H64O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-27,29-34,42-43,45-47H,9-20H2,1-7H3,(H,48,49)/t22-,23+,24-,25-,26+,27-,29+,30-,31+,32-,33-,34-,38-,39+,40+,41-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O)C)C)C)(C)C)O[C@H]1[C@H](C(=O)[C@@H](CO1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAnemone flaccida Ref.
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OrganismAnemone flaccida
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter53