input word = C00041183

Metabolite InformationStructural formula
Name Taxuspinanane A
(-)-Taxuspinanane A
Formula C47H59NO14
Mw 861.3935556
CAS RN 187740-00-7
C_ID C00041183 ,
InChIKey LNTOLDCVMUNKRU-REKDMTMLNA-N
InChICode InChI=1S/C47H59NO14/c1-9-25(2)20-21-34(52)48-36(29-16-12-10-13-17-29)37(53)43(56)60-31-23-47(57)41(61-42(55)30-18-14-11-15-19-30)39-45(8,32(51)22-33-46(39,24-58-33)62-28(5)50)40(54)38(59-27(4)49)35(26(31)3)44(47,6)7/h10-19,25,31-33,36-39,41,51,53,57H,9,20-24H2,1-8H3,(H,48,52)/t25-,31-,32-,33+,36-,37+,38+,39-,41-,45+,46-,47+/m0/s1
SMILES [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1O)OC3)OC(=O)C)[C@@H]([C@@]1(C[C@@H](C(=C(C1(C)C)[C@H](C2=O)OC(=O)C)C)OC(=O)[C@@H]([C@@H](NC(=O)CC[C@H](CC)C)c1ccccc1)O)O)OC(=O)c1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus cuspidata Ref.
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