input word = C00027736

Metabolite InformationStructural formula
Name 30-Hydroxymycalolide
30-Hydroxymycalolide A
Formula C47H66N4O14
Mw 910.45755285
CAS RN 216770-57-9
C_ID C00027736 ,
InChIKey RJGURWXRVVOFCD-FYPMHXRPNA-N
InChICode InChI=1S/C47H66N4O14/c1-27(17-18-38(56)29(3)44(64-32(6)53)28(2)19-20-51(7)26-52)40(59-9)22-41-31(5)39(58-8)15-12-16-42-48-35(24-61-42)46-50-36(25-63-46)47-49-34(23-62-47)45(60-10)30(4)37(55)14-11-13-33(54)21-43(57)65-41/h11-12,14,16,19-20,23-31,33,38-41,44-45,54,56H,13,15,17-18,21-22H2,1-10H3/b14-11-,16-12-,20-19+/t27-,28-,29-,30-,31+,33+,38-,39+,40+,41-,44+,45+/m1/s1
SMILES COC(CC1OC(=O)CC(O)C/C=CC(=O)C(C)C(OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=CCC(OC)C1C)C(C)CCC(O)C(C)C(OC(C)=O)C(C)/C=C/N(C)C=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Tyr Secologanin
Organism
Kingdom Family Species Reference
--Mycale magellanica Ref.
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