input word = C00043763

Metabolite InformationStructural formula
Name Neohalichondramide
Formula C44H60N4O12
Mw 836.42077341
CAS RN 798573-01-0
C_ID C00043763 ,
InChIKey WVEACYJDWUEKPP-HYUYQEBANA-N
InChICode InChI=1S/C44H60N4O12/c1-27-13-9-10-17-40-45-33(24-57-40)43-47-34(25-59-43)44-46-32(23-58-44)42(56-8)30(4)35(51)15-11-14-31(50)21-41(53)60-39(27)22-38(55-7)28(2)18-19-36(52)29(3)37(54-6)16-12-20-48(5)26-49/h10-12,14,17,20,23-31,37-39,42,50H,9,13,15-16,18-19,21-22H2,1-8H3/b14-11+,17-10-,20-12+/t27-,28-,29+,30-,31-,37-,38-,39-,42+/m1/s1
SMILES COC(CC1OC(=O)CC(O)/C=C/CC(=O)C(C)C(OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=CCCC1C)C(C)CCC(=O)C(C)C(C/C=C/N(C)C=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Tyr Secologanin
Organism
Kingdom Family Species Reference
--Chondrosia corticata Ref.
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