input word = C00048899

Metabolite InformationStructural formula
Name Vannusal B
(+)-Vannusal B
Formula C32H46O7
Mw 542.32435382
CAS RN 230288-22-9
C_ID C00048899 ,
InChIKey BFLJNEGRKQOKAL-NEQZRKHBNA-N
InChICode InChI=1S/C32H46O7/c1-16(2)18-6-8-20(25(18)39-17(3)34)19-7-9-21-22(19)14-30(15-33)24-11-13-32(30,26(21)35)28(37)31(24)12-10-23(27(31)36)29(4,5)38/h14-15,18-21,23-28,35-38H,1,6-13H2,2-5H3/t18-,19-,20+,21+,23+,24-,25-,26-,27-,28-,30?,31+,32+/m0/s1
SMILES C1C[C@H]2[C@]3([C@]1([C@H]([C@H]1C(=C3)[C@@H](CC1)[C@H]1CC[C@H]([C@@H]1OC(=O)C)C(=C)C)O)[C@H]([C@@]12CC[C@H]([C@@H]1O)C(C)(C)O)O)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Euplotes vannus Ref.
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