input word = C00045871

Metabolite InformationStructural formula
Name DTX-6
(+)-DTX-6
Formula C51H76O14
Mw 912.52350714
CAS RN 379699-87-3
C_ID C00045871 ,
InChIKey IXHIMLDLLGVXHB-YXJBKSIANA-N
InChICode InChI=1S/C51H76O14/c1-30-24-41(63-51(26-30)42(54)14-13-38(62-51)27-48(8,57)47(56)58-29-32(3)23-31(2)28-52)33(4)11-12-37-16-20-50(61-37)21-17-40-46(65-50)43(55)36(7)45(60-40)39(53)25-35(6)44-34(5)15-19-49(64-44)18-9-10-22-59-49/h11-12,26,28,33-35,37-46,53-55,57H,2-3,7,9-10,13-25,27,29H2,1,4-6,8H3/b12-11+/t33-,34-,35+,37+,38+,39+,40-,41+,42-,43-,44+,45+,46+,48-,49+,50-,51-/m1/s1
SMILES C=C(C=O)CC(=C)COC(=O)[C@](C)(O)C[C@@H]1CC[C@@H](O)[C@]2(C=C(C)C[C@@H]([C@H](C)/C=C/[C@H]3CC[C@@]4(CC[C@H]5O[C@H]([C@@H](O)C[C@H](C)[C@H]6O[C@@]7(CCCCO7)CC[C@H]6C)C(=C)[C@@H](O)[C@@H]5O4)O3)O2)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--ProrocentraceaeProrocentrum lima Ref.
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