input word = C00049426

Metabolite InformationStructural formula
Name Austrospicatine
Formula C41H55NO12
Mw 753.37242623
CAS RN 119777-76-3
C_ID C00049426 ,
InChIKey AOOFCRFQFKRNRL-UHFFFAOYNA-N
InChICode InChI=1S/C41H55NO12/c1-21-30-18-29-19-31(49-23(3)43)22(2)34(40(29,8)9)36(51-25(5)45)38(53-27(7)47)41(30,10)33(50-24(4)44)20-32(21)54-39(48)37(52-26(6)46)35(42(11)12)28-16-14-13-15-17-28/h13-17,29-33,35-38H,1,18-20H2,2-12H3/t29-,30+,31+,32-,33-,35+,36+,37+,38+,41-/m0/s1
SMILES [C@H]1(C[C@H]2C(C(=C1C)[C@H]([C@H]([C@]1([C@H](C2)C(=C)[C@H](C[C@@H]1OC(=O)C)OC(=O)[C@@H]([C@@H](c1ccccc1)N(C)C)OC(=O)C)C)OC(=O)C)OC(=O)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeAustrotaxus spicata Ref.
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OrganismAustrotaxus spicata
ReferenceBaloglu,J.Nat.Prod.,62,(1999),1448