input word = C00044947

Metabolite InformationStructural formula
Name Mycaloside H
(-)-Mycaloside H
Formula C51H82O23
Mw 1062.52468893
CAS RN 593280-57-0
C_ID C00044947 ,
InChIKey BEXLMUGDQCGTGG-WKRZOXRBNA-N
InChICode InChI=1S/C51H82O23/c1-20(2)21(3)6-7-22(15-52)26-14-27(56)33-23-8-9-25-34(58)29(11-13-50(25,4)24(23)10-12-51(26,33)5)68-49-42(66)45(44(32(18-55)71-49)73-48-40(64)38(62)36(60)31(17-54)70-48)74-46-41(65)43(28(57)19-67-46)72-47-39(63)37(61)35(59)30(16-53)69-47/h9,20,22-24,26,28-49,52-55,57-66H,3,6-8,10-19H2,1-2,4-5H3/t22-,23+,24-,26+,28+,29-,30+,31+,32+,33+,34+,35-,36-,37-,38-,39+,40+,41-,42+,43+,44+,45+,46-,47-,48-,49+,50+,51+/m0/s1
SMILES C=C(CC[C@@H](CO)[C@H]1CC(=O)[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@@H]6O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Mycale laxissima Ref.
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OrganismMycale laxissima
ReferenceAntonov,J.Nat.Prod.,66,(2003),1082