input word = C00027737

Metabolite InformationStructural formula
Name 32-Hydroxymycalolide
32-Hydroxymycalolide A
Formula C45H62N4O13
Mw 866.4313381
CAS RN 216770-61-5
C_ID C00027737 ,
InChIKey PNKMHEIEQKNTNH-KLPASXBGNA-N
InChICode InChI=1S/C45H62N4O13/c1-26(16-17-36(53)28(3)42(55)27(2)18-19-49(6)25-50)38(57-8)21-39-30(5)37(56-7)14-11-15-40-46-33(23-59-40)44-48-34(24-61-44)45-47-32(22-60-45)43(58-9)29(4)35(52)13-10-12-31(51)20-41(54)62-39/h10-11,13,15,18-19,22-31,37-39,42-43,51,55H,12,14,16-17,20-21H2,1-9H3/b13-10-,15-11-,19-18+/t26-,27+,28-,29-,30-,31+,37+,38+,39-,42-,43-/m0/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(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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