input word = C00041132

Metabolite InformationStructural formula
Name Taiwanxan
Formula C31H46O9
Mw 562.31418307
CAS RN 114627-32-6
C_ID C00041132 ,
InChIKey PZNADVPHJXQBQB-UHFFFAOYNA-N
InChICode InChI=1S/C31H46O9/c1-11-15(2)29(36)40-22-14-16(3)23-27(38-19(6)33)28(39-20(7)34)31(10)13-12-21(35)17(4)24(31)26(37-18(5)32)25(22)30(23,8)9/h15,21-22,24-28,35H,4,11-14H2,1-3,5-10H3/t15-,21-,22+,24+,25-,26+,27+,28-,31-/m1/s1
SMILES C=C1C(O)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)CC(OC(=O)C(C)CC)C(C(OC(C)=O)C12)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus mairei Ref.
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