input word = C00038741

Metabolite InformationStructural formula
Name Chlorahololide B
(+)-Chlorahololide B
Formula C39H40O14
Mw 732.24180599
CAS RN 928040-25-9
C_ID C00038741 ,
InChIKey KSKYQRVGRNHBRL-BJZDZNCONA-N
InChICode InChI=1S/C39H40O14/c1-15-7-27(42)51-14-37(47)22-8-19(22)34(3)23(37)10-18-17(13-50-26(41)6-5-25(40)49-12-15)32(44)52-38(18)24(34)11-36(46)21-9-20(21)35(4)30(36)29(38)28-16(2)31(43)53-39(28,48)33(35)45/h7,19-24,46-48H,5-6,8-14H2,1-4H3/b15-7-/t19-,20-,21+,22+,23-,24+,34+,35+,36+,37+,38+,39+/m1/s1
SMILES C\1=C(\COC(=O)CCC(=O)OCC2=C3C[C@H]4[C@](COC1=O)([C@@H]1[C@H]([C@@]4([C@H]4[C@]3(OC2=O)C2=C3[C@](C4)([C@@H]4[C@H]([C@]3(C)C(=O)[C@@]3(C2=C(C(=O)O3)C)O)C4)O)C)C1)O)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChloranthaceaeChloranthus spicatus Ref.
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