input word = C00035955

Metabolite InformationStructural formula
Name 6alpha-Acetoxy-9beta-benzoyloxy-1beta-cinnamoyloxy-8beta-(2-methylbutanoyloxy)-beta-dihydroagarofuran
Formula C38H46O9
Mw 646.31418307
CAS RN 81460-02-5
C_ID C00035955 ,
InChIKey YNZFPBWLANBKMU-LSDHQDQONA-N
InChICode InChI=1S/C38H46O9/c1-8-23(2)34(41)45-31-30-32(43-25(4)39)38(47-36(30,5)6)24(3)19-21-28(44-29(40)22-20-26-15-11-9-12-16-26)37(38,7)33(31)46-35(42)27-17-13-10-14-18-27/h9-18,20,22-24,28,30-33H,8,19,21H2,1-7H3/b22-20+/t23-,24+,28-,30-,31+,32-,33-,37-,38-/m1/s1
SMILES CCC(C)C(=O)OC1C2C(OC(C)=O)C3(OC2(C)C)C(C)CCC(OC(=O)/C=C/c2ccccc2)C3(C)C1OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCelastrus orbiculatus Ref.
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