Spinetoram J

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role	Definition	Evidence
insecticide CHEBI:24852	Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.	Curated
pesticide CHEBI:25944	Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.	Curated

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	GOENIMGKWNZVDA-OAMCMWGQSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string	[H][C@]1(O[C@H]2CCC[C@H](CC)OC(=O)CC3C(=C[C@@]4([H])[C@]5([H])CC(O[C@]6([H])O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C[C@@]5([H])CC[C@@]34[H])C(=O)[C@@H]2C)CC[C@H](N(C)C)[C@@H](C)O1
Molecular formula chemrof:molecular_formula	C42H69NO10
Molecular mass chemrof:molecular_mass	748.011
Monoisotopic mass chemrof:monoisotopic_mass	747.492147, 747.49215
SMILES string chemrof:smiles_string	CCOC1C(OC)C(C)OC(OC2CC3CCC4C5CC(=O)OC(CC)CCCC(OC6CCC(N(C)C)C(C)O6)C(C)C(=O)C5=CC4C3C2)C1OC

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=187166-40-1	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82041	enrich_references.chebi_id_link
KEGG	https://www.genome.jp/entry/C18894	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
300e254e14f6795da2aea8439fd9c5071d698aaa	Environmental → Ground → Agricultural	ecoinvent algorithm addition	kg	0

Everything that changed this substance (0 changes)

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Flow object JSON

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Spinetoram J

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