input word = C00043912

Metabolite InformationStructural formula
Name Secohalichondramide
Formula C44H64N4O14
Mw 872.44190278
CAS RN 798573-03-2
C_ID C00043912 ,
InChIKey NWHQAZYYZFUYMW-JKQLDQSBNA-N
InChICode InChI=1S/C44H64N4O14/c1-27(14-10-11-18-39(45)53)38(23-37(57-7)28(2)19-20-35(52)29(3)36(56-6)17-13-21-48(5)26-49)62-40(54)22-31(50)15-12-16-34(51)30(4)41(58-8)32-24-60-42(46-32)33-25-61-43(47-33)44(55)59-9/h11-13,16,18,21,24-31,36-38,41,50H,10,14-15,17,19-20,22-23H2,1-9H3,(H2,45,53)/b16-12+,18-11+,21-13+/t27-,28+,29+,30-,31-,36+,37-,38-,41+/m0/s1
SMILES COC(=O)c1nc(-c2nc(C(OC)C(C)C(=O)/C=C/CC(O)CC(=O)OC(CC(OC)C(C)CCC(=O)C(C)C(C/C=C/N(C)C=O)OC)C(C)CC/C=C/C(N)=O)co2)co1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro
Organism
Kingdom Family Species Reference
--Chondrosia corticata Ref.
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OrganismChondrosia corticata
ReferenceShin,J.Nat.Prod.,67,(2004),1889