input word = C00039502

Metabolite InformationStructural formula
Name Junceellolide A
(-)-Junceellolide A
Formula C26H33ClO10
Mw 540.17622499
CAS RN 121769-81-1
C_ID C00039502 ,
InChIKey VSATZNAMFMGSHA-FGZLDRGXNA-N
InChICode InChI=1S/C26H33ClO10/c1-11-8-9-17(33-14(4)28)24(7)18(34-15(5)29)10-25(32)12(2)20(27)22-26(37-25,13(3)23(31)36-22)21(19(11)24)35-16(6)30/h13,17-22,32H,1-2,8-10H2,3-7H3/t13-,17-,18-,19+,20-,21-,22-,24+,25-,26+/m1/s1
SMILES C=C1CC[C@@H](OC(C)=O)[C@@]2(C)[C@H](OC(C)=O)C[C@@]3(O)OC4([C@H](C)C(=O)O[C@@H]4[C@H](Cl)C3=C)[C@H](OC(C)=O)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella fragilis Ref.
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