input word = C00048712

Metabolite InformationStructural formula
Name Fragilide C
(+)-Fragilide C
Formula C27H35ClO11
Mw 570.18678967
CAS RN 1018366-54-5
C_ID C00048712 ,
InChIKey NNVBXBWHZOQNNB-RZHQFCEHNA-N
InChICode InChI=1S/C27H35ClO11/c1-7-18(31)37-17-10-26(33)12(2)19(28)21-27(39-26,13(3)23(32)38-21)22(36-15(5)30)20-24(17,6)16(35-14(4)29)8-9-25(20)11-34-25/h13,16-17,19-22,33H,2,7-11H2,1,3-6H3/t13-,16-,17-,19-,20+,21+,22-,24+,25-,26-,27+/m0/s1
SMILES C=C1[C@H](Cl)C2OC(=O)[C@H](C)C23O[C@@]1(O)C[C@H](OC(=O)CC)[C@@]1(C)[C@@H](OC(C)=O)CC[C@]2(CO2)[C@@H]1[C@@H]3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella fragilis Ref.
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