input word = C00018894

Metabolite InformationStructural formula
Name Stellettin E
Formula C30H40O4
Mw 464.29265977
CAS RN 184885-89-0
C_ID C00018894 ,
InChIKey IIPLLKSCMYHUOP-CQWGHKIONA-N
InChICode InChI=1S/C30H40O4/c1-19(11-9-13-21(3)27(33)34)10-8-12-20(2)26-22(31)18-24-29(6)17-15-25(32)28(4,5)23(29)14-16-30(24,26)7/h8-13,23-24H,14-18H2,1-7H3,(H,33,34)/b11-9+,12-8+,19-10+,21-13+,26-20+/t23-,24-,29-,30-/m0/s1
SMILES CC(/C=C/C=C(C)/C=C/C=C(C)C(=O)O)=C1/C(=O)C[C@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAncorinidaeStelletta sp. Ref.
--Rhabdastrella aff. distincta Ref.
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