input word = C00045265

Metabolite InformationStructural formula
Name Clavosolide C
(-)-Clavosolide C
Formula C43H70O16
Mw 842.46638619
CAS RN 468757-34-8
C_ID C00045265 ,
InChIKey VZJHKECEUCVCRQ-DAOBMIDTNA-N
InChICode InChI=1S/C43H70O16/c1-20-10-26(20)33-14-24-12-29(58-42-40(50-8)38(48-6)28(44)18-52-42)22(3)31(54-24)16-36(45)57-34(27-11-21(27)2)15-25-13-30(23(4)32(55-25)17-37(46)56-33)59-43-41(51-9)39(49-7)35(47-5)19-53-43/h20-35,38-44H,10-19H2,1-9H3/t20-,21-,22+,23+,24-,25-,26-,27-,28+,29-,30-,31-,32-,33-,34-,35+,38-,39-,40+,41+,42-,43-/m0/s1
SMILES CO[C@@H]1[C@@H](OC)[C@H](O[C@H]2C[C@H]3C[C@@H]([C@H]4C[C@@H]4C)OC(=O)C[C@@H]4O[C@@H](C[C@H](O[C@@H]5OC[C@@H](OC)[C@H](OC)[C@H]5OC)[C@H]4C)C[C@@H]([C@H]4C[C@@H]4C)OC(=O)C[C@H](O3)[C@@H]2C)OC[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Myriastra clavosa Ref.
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