input word = C00043574

Metabolite InformationStructural formula
Name Heteronemin acetate
Formula C31H46O7
Mw 530.32435382
CAS RN 107748-93-6
C_ID C00043574 ,
InChIKey HZGUZCQEPZRJOT-PJYCPZBPNA-N
InChICode InChI=1S/C31H46O7/c1-17(32)36-21-14-24-30(7)13-10-22-28(4,5)11-9-12-29(22,6)23(30)15-25(37-18(2)33)31(24,8)26-20(21)16-35-27(26)38-19(3)34/h16,21-27H,9-15H2,1-8H3/t21-,22-,23+,24-,25+,26+,27-,29-,30+,31+/m0/s1
SMILES C1[C@]2([C@H](C(CC1)(C)C)CC[C@@]1([C@@H]2C[C@H]([C@]2([C@H]1C[C@@H](C1=CO[C@H]([C@H]21)OC(=O)C)OC(=O)C)C)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Brachiaster sp. Ref.
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OrganismBrachiaster sp.
ReferenceWonganuchitmeta,J.Nat.Prod.,67,(2004),1767