input word = C00050163

Metabolite InformationStructural formula
Name Mayotolide A
(+)-Mayotolide A
Formula C40H44O12
Mw 716.28327687
CAS RN 208391-98-4
C_ID C00050163 ,
InChIKey ADCMAKDKVFILGH-YMSYPEFQNA-N
InChICode InChI=1S/C40H44O12/c1-19(2)21-7-9-23-11-25(47-36(23)43)17-39(5,46)33(31-15-27(35(41)42)29(13-21)49-31)51-38(45)28-16-32-34-40(6,52-34)18-26-12-24(37(44)48-26)10-8-22(20(3)4)14-30(28)50-32/h11-12,15-16,21-22,25-26,33-34,46H,1,3,7-10,13-14,17-18H2,2,4-6H3,(H,41,42)/t21-,22-,25-,26-,33+,34-,39+,40+/m0/s1
SMILES C=C(C)[C@H]1CCC2=C[C@@H](C[C@@](C)(O)[C@H](OC(=O)c3cc4oc3C[C@@H](C(=C)C)CCC3=C[C@@H](C[C@@]5(C)OC45)OC3=O)c3cc(C(=O)O)c(o3)C1)OC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia erecta Ref.
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OrganismSinularia erecta
ReferenceRudi,J.Nat.Prod.,61,(1998),872