input word = C00045345

Metabolite InformationStructural formula
Name Milolide H
(+)-Milolide H
Formula C28H40O12
Mw 568.25197674
CAS RN 438552-11-5
C_ID C00045345 ,
InChIKey GTYIUTOQPWAZKO-BFIJAXSSNA-N
InChICode InChI=1S/C28H40O12/c1-13-20(37-16(4)30)11-22(39-18(6)32)27(7)21(38-17(5)31)9-8-19(12-36-15(3)29)10-23-28(35,25(33)24(13)27)14(2)26(34)40-23/h10,13-14,20-25,33,35H,8-9,11-12H2,1-7H3/b19-10+/t13-,14-,20+,21-,22-,23-,24+,25+,27-,28-/m0/s1
SMILES C\1=C(\CC[C@@H]([C@@]2([C@@H]([C@H]([C@]3([C@H]1OC(=O)[C@@H]3C)O)O)[C@H]([C@@H](C[C@@H]2OC(=O)C)OC(=O)C)C)C)OC(=O)C)/COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum stechei Ref.
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