input word = C00038334

Metabolite InformationStructural formula
Name 8-O-Methyltianmushanol
(-)-8-O-Methyltianmushanol
Formula C40H44O14
Mw 748.27310612
CAS RN 1029518-73-7
C_ID C00038334 ,
InChIKey NASSYBOEZYWDCR-QIRJOUJNNA-N
InChICode InChI=1S/C40H44O14/c1-16-8-9-50-26(41)6-7-27(42)51-14-18-19-12-24-35(3,20-10-23(20)38(24,48)15-52-31(16)43)25-13-37(47)22-11-21(22)36(4)30(37)29(39(19,25)53-33(18)45)28-17(2)32(44)54-40(28,49-5)34(36)46/h8,20-25,34,46-48H,6-7,9-15H2,1-5H3/b16-8-/t20-,21-,22+,23+,24-,25+,34-,35+,36+,37+,38+,39+,40-/m1/s1
SMILES [C@]12([C@H]3[C@@]4(C5=C(C(=O)O4)COC(=O)CCC(=O)OC/C=C(/C)\C(=O)OC[C@@]([C@@H]1C5)([C@@H]1[C@H]2C1)O)C1=C2[C@@]([C@H]([C@]4(C1=C(C(=O)O4)C)OC)O)([C@H]1[C@@H]([C@]2(C3)O)C1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChloranthaceaeChloranthus tianmushanensis Ref.
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