(Q104969831)

English

Aspewentin E

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

7-Ethenyl-4,4a-dihydroxy-1,1,7-trimethyl-2,3,4,4b,5,6-hexahydrophenanthren-9-one

1 reference

based on heuristic

inferred from SMILES

mass

302.188194692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₆O₃

0 references

canonical SMILES

O=C1C=C2C(O)(C(O)CCC2(C)C)C3C1=CC(C=C)(C)CC3

0 references

isomeric SMILES

C=C[C@]1(C)C=C2C(=O)C=C3C(C)(C)CC[C@@H](O)[C@]3(O)[C@H]2CC1

0 references

found in taxon

Aspergillus wentii

1 reference

stated in

Aspewentins D-H, 20-Nor-isopimarane Derivatives from the Deep Sea Sediment-Derived Fungus Aspergillus wentii SD-310.

Identifiers

InChI

InChI=1S/C19H26O3/c1-5-18(4)9-6-13-12(11-18)14(20)10-15-17(2,3)8-7-16(21)19(13,15)22/h5,10-11,13,16,21-22H,1,6-9H2,2-4H3/t13-,16+,18-,19-/m0/s1

0 references

InChIKey

CTJHIWATLDAYJJ-BIGGFVEDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CTJHIWATLDAYJJ-BIGGFVEDSA-N

ChEBI ID

227639

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C19H26O3/c1-5-18(4)9-6-13-12(11-18)14(20)10-15-17(2,3)8-7-16(21)19(13,15)22/h5,10-11,13,16,21-22H,1,6-9H2,2-4H3/t13-,16+,18-,19-/m0/s1

1 reference

Natural Product Atlas ID

NPA021930

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

CTJHIWATLDAYJJ-BIGGFVEDSA-N

(Q104969831)

Aspewentin E

Statements

Identifiers

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