input word = C00033912

Metabolite InformationStructural formula
Name Henriol C
(-)-Henriol C
Formula C40H44O14
Mw 748.27310612
CAS RN 1104615-25-9
C_ID C00033912 ,
InChIKey ZVKZZRBORSKZLF-YQKNJSTFNA-N
InChICode InChI=1S/C40H44O14/c1-16-8-9-51-26(41)6-7-27(42)52-14-18-19-12-24-36(3,20-10-23(20)39(24,49)15-53-33(16)45)25-13-38(48)22-11-21(22)37(4)31(38)29(40(19,25)54-35(18)47)28(30(43)32(37)44)17(2)34(46)50-5/h8,20-25,32,44,48-49H,6-7,9-15H2,1-5H3/b16-8+,28-17-/t20-,21-,22+,23+,24-,25+,32+,36+,37+,38+,39+,40+/m1/s1
SMILES [C@@]12(C3=C(/C(=C(/C(=O)OC)\C)/C(=O)[C@@H]1O)[C@@]14[C@@H](C[C@@]3([C@@H]3[C@H]2C3)O)[C@@]2([C@H]3CC1=C(C(=O)O4)COC(=O)CCC(=O)OC/C=C(\C)/C(=O)OC[C@@]3([C@@H]1[C@H]2C1)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChloranthaceaeChloranthus henryi Ref.
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OrganismChloranthus henryi
ReferenceLi,Phytochem.,69,(2008),2867