input word = C00045787

Metabolite InformationStructural formula
Name Clavosolide D
Formula C43H70O16
Mw 842.46638619
CAS RN 468757-36-0
C_ID C00045787 ,
InChIKey LSNXGXQGYRLLGE-YDTLVYLMNA-N
InChICode InChI=1S/C43H70O16/c1-21-10-28(21)32-15-25-12-24(56-42-40(50-8)38(48-6)34(46-4)19-52-42)13-26(54-25)17-36(44)57-33(29-11-22(29)2)16-27-14-30(23(3)31(55-27)18-37(45)58-32)59-43-41(51-9)39(49-7)35(47-5)20-53-43/h21-35,38-43H,10-20H2,1-9H3/t21-,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]3CC(=O)O[C@H]([C@H]4C[C@@H]4C)C[C@@H]4C[C@H](O[C@@H]5OC[C@@H](OC)[C@H](OC)[C@H]5OC)[C@@H](C)[C@H](CC(=O)O[C@H]([C@H]5C[C@@H]5C)C[C@H](C2)O3)O4)OC[C@H]1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Myriastra clavosa Ref.
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OrganismMyriastra clavosa
ReferenceErickson,J.Nat.Prod.,65,(2002),1303