input word = C00060253

Metabolite InformationStructural formula
Name [3aR-(3aalpha,4alpha,4aalpha,6alpha,8abeta,9alpha,10beta)]-4,9-Bis(acetyloxy)-10-(benzoyloxy)-6-(beta-D-glucopyranosyloxy)-3a,4,4a,5,6,7,8,8a,9,10-decahydro-3a-(1-hydroxy-1-methylethyl)-1,8a-dimethyl-5-methylene-benz[f]azulen-2(3H)-one
Formula C37H48O14
Mw 716.30440624
CAS RN 163979-23-5
C_ID C00060253
InChIKey DTSJBDQYCSEKEO-PTFVCCINSA-N
InChICode InChI=1S/C37H48O14/c1-17-22(41)15-37(35(5,6)46)25(17)30(51-33(45)21-11-9-8-10-12-21)32(48-20(4)40)36(7)14-13-23(18(2)26(36)31(37)47-19(3)39)49-34-29(44)28(43)27(42)24(16-38)50-34/h8-12,23-24,26-32,34,38,42-44,46H,2,13-16H2,1,3-7H3/t23-,24+,26-,27+,28-,29+,30+,31-,32-,34+,36+,37+/m0/s1
SMILES C=C1C(OC2OC(CO)C(O)C(O)C2O)CCC2(C)C(OC(C)=O)C(OC(=O)c3ccccc3)C3=C(C)C(=O)CC3(C(C)(C)O)C(OC(C)=O)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus cuspidata Ref.
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OrganismTaxus cuspidata
Referencehttps://doi.org/10.1021/np50116a011