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 C(=O)N(/C=C/C[C@H]([C@@H](C(=O)CC[C@@H](C)[C@H](C[C@H](OC(=O)C[C@H](C/C=C/C(=O)[C@@H]([C@H](c1coc(n1)c1nc(oc1)C(=O)OC)OC)C)O)[C@H](CC/C=C/C(=O)N)C)OC)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro
Organism
Kingdom Family Species Reference
--Chondrosia corticata Ref.
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