input word = C00045346

Metabolite InformationStructural formula
Name Milolide I
(+)-Milolide I
Formula C27H38O12
Mw 554.23632668
CAS RN 438552-12-6
C_ID C00045346 ,
InChIKey VKCCOEOAHBBHMM-YVEVMRPWNA-N
InChICode InChI=1S/C27H38O12/c1-12-18(31)11-20(37-15(4)29)26(6)19(36-14(3)28)9-8-17(25(33)35-7)10-21-27(34,13(2)24(32)39-21)23(22(12)26)38-16(5)30/h10,12-13,18-23,31,34H,8-9,11H2,1-7H3/b17-10+/t12-,13-,18-,19-,20-,21-,22+,23+,26-,27-/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)OC(=O)C)[C@H]([C@H](C[C@@H]2OC(=O)C)O)C)C)OC(=O)C)/C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum stechei Ref.
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OrganismBriareum stechei
ReferenceKwak,J.Nat.Prod.,65,(2002),704