input word = C00034510

Metabolite InformationStructural formula
Name Fasciculic acid B
(+)-Fasciculic acid B
Formula C36H60O9
Mw 636.42373351
CAS RN 126882-55-1
C_ID C00034510 ,
InChIKey SWRXIGFQDQTNKP-UHFFFAOYNA-N
InChICode InChI=1S/C36H60O9/c1-20(10-13-26(37)32(4,5)43)21-14-15-35(8)22-11-12-25-31(2,3)30(42)24(45-29(41)19-33(6,44)18-28(39)40)17-34(25,7)23(22)16-27(38)36(21,35)9/h20-21,24-27,30,37-38,42-44H,10-19H2,1-9H3,(H,39,40)/t20-,21+,24-,25+,26-,27+,30+,33+,34+,35+,36-/m1/s1
SMILES [C@@H]1([C@@H](C([C@H]2[C@@](C1)(C1=C(CC2)[C@]2([C@@]([C@H](C1)O)([C@@H](CC2)[C@@H](CC[C@H](C(C)(O)C)O)C)C)C)C)(C)C)O)OC(=O)C[C@](CC(=O)O)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Naematoloma fasciculare Ref.
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